PubChemLite - Ram-378 (C24H27NO4)

Structural Information

Molecular Formula

SMILES

C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CCC6=CC=CC=C6)[C@H]([C@H]1O)OC5=C(C=C4)O)O

InChI

InChI=1S/C24H27NO4/c26-17-7-6-16-14-19-24(28)10-8-18(27)22-23(24,20(16)21(17)29-22)11-13-25(19)12-9-15-4-2-1-3-5-15/h1-7,18-19,22,26-28H,8-14H2/t18-,19+,22-,23-,24+/m0/s1

InChIKey

GAHRZWMAHDWVCL-VKJMTUIMSA-N

Compound name

(4R,4aS,7S,7aR,12bS)-3-(2-phenylethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol

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]+	394.20128	192.4
[M+Na]+	416.18322	197.4
[M-H]-	392.18672	195.6
[M+NH4]+	411.22782	208.2
[M+K]+	432.15716	191.8
[M+H-H2O]+	376.19126	182.1
[M+HCOO]-	438.19220	197.1
[M+CH3COO]-	452.20785	199.3
[M+Na-2H]-	414.16867	195.2
[M]+	393.19345	189.5
[M]-	393.19455	189.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

394.20128

192.4

[M+Na]+

416.18322

197.4

[M-H]-

392.18672

195.6

[M+NH4]+

411.22782

208.2

[M+K]+

432.15716

191.8

[M+H-H2O]+

376.19126

182.1

[M+HCOO]-

438.19220

197.1

[M+CH3COO]-

452.20785

199.3

[M+Na-2H]-

414.16867

195.2

[M]+

393.19345

189.5

[M]-

393.19455

189.5

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

Ram-378

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe