CID 3075530

184691-72-3

Structural Information

Molecular Formula
C26H31N5O2
SMILES
CN1C2=C(C=C(C=C2)C(=O)NCCCN3CCN(CC3)C4=CC=CC=C4)C5=C1C(=O)NCC5
InChI
InChI=1S/C26H31N5O2/c1-29-23-9-8-19(18-22(23)21-10-12-28-26(33)24(21)29)25(32)27-11-5-13-30-14-16-31(17-15-30)20-6-3-2-4-7-20/h2-4,6-9,18H,5,10-17H2,1H3,(H,27,32)(H,28,33)
InChIKey
JAUZWFDXXZHZCN-UHFFFAOYSA-N
Compound name
9-methyl-1-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.24777 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.25505 210.0
[M+Na]+ 468.23699 213.8
[M-H]- 444.24049 213.5
[M+NH4]+ 463.28159 215.4
[M+K]+ 484.21093 205.3
[M+H-H2O]+ 428.24503 197.1
[M+HCOO]- 490.24597 219.5
[M+CH3COO]- 504.26162 214.9
[M+Na-2H]- 466.22244 208.6
[M]+ 445.24722 205.1
[M]- 445.24832 205.1
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.