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]+ 375.18158 190.5
[M+Na]+ 397.16352 195.9
[M-H]- 373.16702 193.2
[M+NH4]+ 392.20812 198.3
[M+K]+ 413.13746 187.2
[M+H-H2O]+ 357.17156 178.6
[M+HCOO]- 419.17250 198.9
[M+CH3COO]- 433.18815 196.8
[M+Na-2H]- 395.14897 190.4
[M]+ 374.17375 182.8
[M]- 374.17485 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.