CID 132006

136917-40-3

Structural Information

Molecular Formula
C25H18ClN5
SMILES
C1=CC=C(C=C1)N2C=C3C(=NC4=C(C3=N2)C=CC(=C4)Cl)CCNC5=CC=C(C=C5)C#N
InChI
InChI=1S/C25H18ClN5/c26-18-8-11-21-24(14-18)29-23(12-13-28-19-9-6-17(15-27)7-10-19)22-16-31(30-25(21)22)20-4-2-1-3-5-20/h1-11,14,16,28H,12-13H2
InChIKey
GYVYUQVVKBZPRY-UHFFFAOYSA-N
Compound name
4-[2-(7-chloro-2-phenylpyrazolo[4,3-c]quinolin-4-yl)ethylamino]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

423.12506 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.13234 206.4
[M+Na]+ 446.11428 219.3
[M-H]- 422.11778 210.3
[M+NH4]+ 441.15888 214.5
[M+K]+ 462.08822 205.2
[M+H-H2O]+ 406.12232 187.6
[M+HCOO]- 468.12326 217.9
[M+CH3COO]- 482.13891 213.1
[M+Na-2H]- 444.09973 209.2
[M]+ 423.12451 204.5
[M]- 423.12561 204.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe