CID 3054213

70962-24-2

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]+ 406.21251 192.8
[M+Na]+ 428.19445 197.4
[M-H]- 404.19795 196.4
[M+NH4]+ 423.23905 210.2
[M+K]+ 444.16839 192.1
[M+H-H2O]+ 388.20249 184.7
[M+HCOO]- 450.20343 196.7
[M+CH3COO]- 464.21908 199.2
[M+Na-2H]- 426.17990 193.0
[M]+ 405.20468 190.5
[M]- 405.20578 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.