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]+ 269.176076 164.6
[M+Na]+ 291.158018 174.0
[M-H]- 267.161524 165.3
[M+NH4]+ 286.202623 180.5
[M+K]+ 307.131958 167.8
[M+H-H2O]+ 251.166060 156.0
[M+HCOO]- 313.167001 183.2
[M+CH3COO]- 327.182651 175.4
[M+Na-2H]- 289.143466 170.2
[M]+ 268.16825142 166.3
[M]- 268.16934858 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.