CID 3075527

Piperazine, 1-phenyl-4-((1-oxo-2,3,4,9-tetrahydro-1h-pyrido(3,4-b)indol-6-yl)carbonyl)-

Structural Information

Molecular Formula
C22H22N4O2
SMILES
C1CNC(=O)C2=C1C3=C(N2)C=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C22H22N4O2/c27-21-20-17(8-9-23-21)18-14-15(6-7-19(18)24-20)22(28)26-12-10-25(11-13-26)16-4-2-1-3-5-16/h1-7,14,24H,8-13H2,(H,23,27)
InChIKey
NTMVKRHXGGHNTQ-UHFFFAOYSA-N
Compound name
6-(4-phenylpiperazine-1-carbonyl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1743 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.181576 190.5
[M+Na]+ 397.163518 195.9
[M-H]- 373.167024 193.2
[M+NH4]+ 392.208123 198.3
[M+K]+ 413.137458 187.2
[M+H-H2O]+ 357.171560 178.6
[M+HCOO]- 419.172501 198.9
[M+CH3COO]- 433.188151 196.8
[M+Na-2H]- 395.148966 190.4
[M]+ 374.17375142 182.8
[M]- 374.17484858 182.8
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.