PubChemLite - Ramipril diketopiperazine (C23H30N2O4)

Structural Information

Molecular Formula

SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)N2[C@H](C(=O)N3[C@H]4CCC[C@H]4C[C@H]3C2=O)C

InChI

InChI=1S/C23H30N2O4/c1-3-29-23(28)19(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-18-11-7-10-17(18)14-20(25)22(24)27/h4-6,8-9,15,17-20H,3,7,10-14H2,1-2H3/t15-,17-,18-,19-,20-/m0/s1

InChIKey

KOVMAAYRBJCASY-JBDAPHQKSA-N

Compound name

ethyl (2S)-2-[(2S,6S,8S,11S)-11-methyl-9,12-dioxo-1,10-diazatricyclo[6.4.0.02,6]dodecan-10-yl]-4-phenylbutanoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	399.22783	199.5
[M+Na]+	421.20977	203.4
[M-H]-	397.21327	204.1
[M+NH4]+	416.25437	213.0
[M+K]+	437.18371	199.0
[M+H-H2O]+	381.21781	191.4
[M+HCOO]-	443.21875	211.0
[M+CH3COO]-	457.23440	224.2
[M+Na-2H]-	419.19522	192.6
[M]+	398.22000	198.7
[M]-	398.22110	198.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

399.22783

199.5

[M+Na]+

421.20977

203.4

[M-H]-

397.21327

204.1

[M+NH4]+

416.25437

213.0

[M+K]+

437.18371

199.0

[M+H-H2O]+

381.21781

191.4

[M+HCOO]-

443.21875

211.0

[M+CH3COO]-

457.23440

224.2

[M+Na-2H]-

419.19522

192.6

[M]+

398.22000

198.7

[M]-

398.22110

198.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Ramipril diketopiperazine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe