CID 364041

Nsc629658

Structural Information

Molecular Formula
C17H13ClN4
SMILES
CN1C2=NC3=CC=CC=C3C(=C2C=N1)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C17H13ClN4/c1-22-17-14(10-19-22)16(13-4-2-3-5-15(13)21-17)20-12-8-6-11(18)7-9-12/h2-10H,1H3,(H,20,21)
InChIKey
XRAAYLBQQQPCRB-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-1-methylpyrazolo[3,4-b]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.0829 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09018 170.2
[M+Na]+ 331.07212 182.8
[M-H]- 307.07562 175.5
[M+NH4]+ 326.11672 185.6
[M+K]+ 347.04606 174.4
[M+H-H2O]+ 291.08016 160.3
[M+HCOO]- 353.08110 187.4
[M+CH3COO]- 367.09675 182.0
[M+Na-2H]- 329.05757 177.6
[M]+ 308.08235 174.5
[M]- 308.08345 174.5
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.