CID 365606

Nsc633407

Structural Information

Molecular Formula
C29H31N5O
SMILES
C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)C(=O)CCN5CCN(CC5)C6=CC=CC=C6
InChI
InChI=1S/C29H31N5O/c35-27(13-15-32-17-19-33(20-18-32)23-8-2-1-3-9-23)34-16-12-25-24-10-4-5-11-26(24)31-28(25)29(34)22-7-6-14-30-21-22/h1-11,14,21,29,31H,12-13,15-20H2
InChIKey
YPDZCOXYCXOQOH-UHFFFAOYSA-N
Compound name
3-(4-phenylpiperazin-1-yl)-1-(1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.25287 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.26015 217.4
[M+Na]+ 488.24209 233.2
[M+NH4]+ 483.28669 224.2
[M+K]+ 504.21603 225.1
[M-H]- 464.24559 223.9
[M+Na-2H]- 486.22754 225.4
[M]+ 465.25232 221.6
[M]- 465.25342 221.6
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.