CID 51060061

882865-03-4

Structural Information

Molecular Formula
C16H20N4
SMILES
CCCC(C)NC1=C2C=CC=CC2=NC3=NNC(=C13)C
InChI
InChI=1S/C16H20N4/c1-4-7-10(2)17-15-12-8-5-6-9-13(12)18-16-14(15)11(3)19-20-16/h5-6,8-10H,4,7H2,1-3H3,(H2,17,18,19,20)
InChIKey
HVVQLZXXLIGIND-UHFFFAOYSA-N
Compound name
3-methyl-N-pentan-2-yl-2H-pyrazolo[3,4-b]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1688 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17608 164.6
[M+Na]+ 291.15802 174.0
[M-H]- 267.16152 165.3
[M+NH4]+ 286.20262 180.5
[M+K]+ 307.13196 167.8
[M+H-H2O]+ 251.16606 156.0
[M+HCOO]- 313.16700 183.2
[M+CH3COO]- 327.18265 175.4
[M+Na-2H]- 289.14347 170.2
[M]+ 268.16825 166.3
[M]- 268.16935 166.3
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.