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 191.5
[M+Na]+ 428.19445 198.6
[M+NH4]+ 423.23905 200.9
[M+K]+ 444.16839 195.2
[M-H]- 404.19795 192.8
[M+Na-2H]- 426.17990 187.1
[M]+ 405.20468 192.8
[M]- 405.20578 192.8
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.