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 188.6
[M+Na]+ 414.17882 193.6
[M-H]- 390.18232 192.4
[M+NH4]+ 409.22342 206.5
[M+K]+ 430.15276 188.5
[M+H-H2O]+ 374.18686 180.7
[M+HCOO]- 436.18780 192.8
[M+CH3COO]- 450.20345 195.5
[M+Na-2H]- 412.16427 189.3
[M]+ 391.18905 186.0
[M]- 391.19015 186.0
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.