CID 3054213

Strychnine, 2-propionamido-

Structural Information

Molecular Formula
C24H27N3O3
SMILES
CCC(=O)NC1=CC2=C(C=C1)N3[C@@H]4C25CCN6[C@H]5C[C@@H]7[C@H]4[C@H](CC3=O)OCC=C7C6
InChI
InChI=1S/C24H27N3O3/c1-2-20(28)25-14-3-4-17-16(9-14)24-6-7-26-12-13-5-8-30-18-11-21(29)27(17)23(24)22(18)15(13)10-19(24)26/h3-5,9,15,18-19,22-23H,2,6-8,10-12H2,1H3,(H,25,28)/t15-,18-,19-,22-,23-,24?/m0/s1
InChIKey
BNLMIPXTXOQLRY-HIEDGYRTSA-N
Compound name
N-[(4aR,5aS,13aS,15aS,15bR)-14-oxo-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-10-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.20523 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.212506 192.8
[M+Na]+ 428.194448 197.4
[M-H]- 404.197954 196.4
[M+NH4]+ 423.239053 210.2
[M+K]+ 444.168388 192.1
[M+H-H2O]+ 388.202490 184.7
[M+HCOO]- 450.203431 196.7
[M+CH3COO]- 464.219081 199.2
[M+Na-2H]- 426.179896 193.0
[M]+ 405.20468142 190.5
[M]- 405.20577858 190.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.