CID 3075506

184691-44-9

Structural Information

Molecular Formula
C24H25ClN4O2
SMILES
CN1C2=CC=CC=C2C3=C1C(=O)N(C(=O)C3)CCN4CCN(CC4)C5=CC(=CC=C5)Cl
InChI
InChI=1S/C24H25ClN4O2/c1-26-21-8-3-2-7-19(21)20-16-22(30)29(24(31)23(20)26)14-11-27-9-12-28(13-10-27)18-6-4-5-17(25)15-18/h2-8,15H,9-14,16H2,1H3
InChIKey
VAVDVBVYSZHMCD-UHFFFAOYSA-N
Compound name
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-9-methyl-4H-pyrido[3,4-b]indole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.1666 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.17388 210.0
[M+Na]+ 459.15582 218.8
[M-H]- 435.15932 215.4
[M+NH4]+ 454.20042 218.2
[M+K]+ 475.12976 209.7
[M+H-H2O]+ 419.16386 197.0
[M+HCOO]- 481.16480 216.7
[M+CH3COO]- 495.18045 217.0
[M+Na-2H]- 457.14127 207.3
[M]+ 436.16605 210.2
[M]- 436.16715 210.2
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.