CID 3087503

2-(4-methyl-1-piperazinyl)acetyl-1-phenyl-2,3,4,9-tetrahydro-1h-pyrido(3,4-b)indole 2hcl

Structural Information

Molecular Formula
C24H28N4O
SMILES
CN1CCN(CC1)CC(=O)N2CCC3=C(C2C4=CC=CC=C4)NC5=CC=CC=C35
InChI
InChI=1S/C24H28N4O/c1-26-13-15-27(16-14-26)17-22(29)28-12-11-20-19-9-5-6-10-21(19)25-23(20)24(28)18-7-3-2-4-8-18/h2-10,24-25H,11-17H2,1H3
InChIKey
YUMZRLCRCPBDAV-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-1-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.22632 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.23360 197.6
[M+Na]+ 411.21554 202.4
[M-H]- 387.21904 201.1
[M+NH4]+ 406.26014 205.6
[M+K]+ 427.18948 193.8
[M+H-H2O]+ 371.22358 184.8
[M+HCOO]- 433.22452 206.4
[M+CH3COO]- 447.24017 203.6
[M+Na-2H]- 409.20099 196.5
[M]+ 388.22577 191.4
[M]- 388.22687 191.4
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

patents stripe