CID 3075510

184691-48-3

Structural Information

Molecular Formula
C25H27ClN4O2
SMILES
CN1C2=CC=CC=C2C3=C1C(=O)N(C(=O)C3)CCCN4CCN(CC4)C5=CC(=CC=C5)Cl
InChI
InChI=1S/C25H27ClN4O2/c1-27-22-9-3-2-8-20(22)21-17-23(31)30(25(32)24(21)27)11-5-10-28-12-14-29(15-13-28)19-7-4-6-18(26)16-19/h2-4,6-9,16H,5,10-15,17H2,1H3
InChIKey
UOMHQJHNKXFRFJ-UHFFFAOYSA-N
Compound name
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-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

450.18225 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.18953 214.3
[M+Na]+ 473.17147 222.6
[M-H]- 449.17497 219.4
[M+NH4]+ 468.21607 221.9
[M+K]+ 489.14541 213.3
[M+H-H2O]+ 433.17951 201.1
[M+HCOO]- 495.18045 220.6
[M+CH3COO]- 509.19610 220.8
[M+Na-2H]- 471.15692 211.1
[M]+ 450.18170 214.7
[M]- 450.18280 214.7
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.