CID 3041796

58523-48-1

Structural Information

Molecular Formula
C23H25N3O3
SMILES
CC(=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/C23H25N3O3/c1-12(27)24-14-2-3-17-16(8-14)23-5-6-25-11-13-4-7-29-18-10-20(28)26(17)22(23)21(18)15(13)9-19(23)25/h2-4,8,15,18-19,21-22H,5-7,9-11H2,1H3,(H,24,27)/t15-,18-,19-,21-,22-,23?/m0/s1
InChIKey
PWABHCZVPPLYLQ-XJZMMIRDSA-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]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.1896 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.19688 187.4
[M+Na]+ 414.17882 194.7
[M+NH4]+ 409.22342 197.0
[M+K]+ 430.15276 191.5
[M-H]- 390.18232 188.7
[M+Na-2H]- 412.16427 183.2
[M]+ 391.18905 188.8
[M]- 391.19015 188.8
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.