CID 667632

1h-pyrazolo[3,4-b]quinolin-3-amine

Structural Information

Molecular Formula
C10H8N4
SMILES
C1=CC2=CC3=C(NN=C3N=C2C=C1)N
InChI
InChI=1S/C10H8N4/c11-9-7-5-6-3-1-2-4-8(6)12-10(7)14-13-9/h1-5H,(H3,11,12,13,14)
InChIKey
KEVOFPICRVTBPL-UHFFFAOYSA-N
Compound name
2H-pyrazolo[3,4-b]quinolin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

4
Patents

184.07489 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.082166 135.9
[M+Na]+ 207.064108 147.5
[M-H]- 183.067614 136.7
[M+NH4]+ 202.108713 154.8
[M+K]+ 223.038048 141.8
[M+H-H2O]+ 167.072150 128.3
[M+HCOO]- 229.073091 157.1
[M+CH3COO]- 243.088741 149.1
[M+Na-2H]- 205.049556 145.8
[M]+ 184.07434142 135.0
[M]- 184.07543858 135.0
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