CID 365607

Nsc633408

Structural Information

Molecular Formula
C29H30ClN5O
SMILES
C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)C(=O)CCN5CCN(CC5)C6=CC(=CC=C6)Cl
InChI
InChI=1S/C29H30ClN5O/c30-22-6-3-7-23(19-22)34-17-15-33(16-18-34)13-11-27(36)35-14-10-25-24-8-1-2-9-26(24)32-28(25)29(35)21-5-4-12-31-20-21/h1-9,12,19-20,29,32H,10-11,13-18H2
InChIKey
WBNHOLRZSALXBA-UHFFFAOYSA-N
Compound name
3-[4-(3-chlorophenyl)piperazin-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

499.2139 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.22118 224.1
[M+Na]+ 522.20312 241.1
[M+NH4]+ 517.24772 231.2
[M+K]+ 538.17706 232.1
[M-H]- 498.20662 230.8
[M+Na-2H]- 520.18857 231.9
[M]+ 499.21335 228.8
[M]- 499.21445 228.8
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.