PubChemLite - Hapalindole j-formamide (C21H26N2O)

Structural Information

Molecular Formula

SMILES

C[C@@]1(CC[C@H]2[C@@H]([C@H]1NC=O)C3=CNC4=CC=CC(=C43)C2(C)C)C=C

InChI

InChI=1S/C21H26N2O/c1-5-21(4)10-9-15-18(19(21)23-12-24)13-11-22-16-8-6-7-14(17(13)16)20(15,2)3/h5-8,11-12,15,18-19,22H,1,9-10H2,2-4H3,(H,23,24)/t15-,18-,19+,21-/m0/s1

InChIKey

DGVMUVBTNMOVFZ-RMYQPGKMSA-N

Compound name

N-[(2R,3R,4R,7S)-4-ethenyl-4,8,8-trimethyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),9(16),10,12-tetraen-3-yl]formamide

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]+	323.21178	177.9
[M+Na]+	345.19372	186.9
[M-H]-	321.19722	180.7
[M+NH4]+	340.23832	199.5
[M+K]+	361.16766	179.1
[M+H-H2O]+	305.20176	170.5
[M+HCOO]-	367.20270	192.7
[M+CH3COO]-	381.21835	188.0
[M+Na-2H]-	343.17917	182.0
[M]+	322.20395	177.1
[M]-	322.20505	177.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

323.21178

177.9

[M+Na]+

345.19372

186.9

[M-H]-

321.19722

180.7

[M+NH4]+

340.23832

199.5

[M+K]+

361.16766

179.1

[M+H-H2O]+

305.20176

170.5

[M+HCOO]-

367.20270

192.7

[M+CH3COO]-

381.21835

188.0

[M+Na-2H]-

343.17917

182.0

[M]+

322.20395

177.1

[M]-

322.20505

177.1

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

Hapalindole j-formamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe