CID 3075532

184691-74-5

Structural Information

Molecular Formula
C26H30ClN5O2
SMILES
CN1C2=C(C=C(C=C2)C(=O)NCCCN3CCN(CC3)C4=CC(=CC=C4)Cl)C5=C1C(=O)NCC5
InChI
InChI=1S/C26H30ClN5O2/c1-30-23-7-6-18(16-22(23)21-8-10-29-26(34)24(21)30)25(33)28-9-3-11-31-12-14-32(15-13-31)20-5-2-4-19(27)17-20/h2,4-7,16-17H,3,8-15H2,1H3,(H,28,33)(H,29,34)
InChIKey
MMCWSQMAMPRNDE-UHFFFAOYSA-N
Compound name
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-9-methyl-1-oxo-3,4-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.2088 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.21608 217.6
[M+Na]+ 502.19802 223.0
[M-H]- 478.20152 221.2
[M+NH4]+ 497.24262 222.9
[M+K]+ 518.17196 213.6
[M+H-H2O]+ 462.20606 205.0
[M+HCOO]- 524.20700 222.4
[M+CH3COO]- 538.22265 222.4
[M+Na-2H]- 500.18347 214.9
[M]+ 479.20825 215.5
[M]- 479.20935 215.5
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.