CID 51060033

882864-72-4

Structural Information

Molecular Formula
C17H22N4
SMILES
CCCC(C)NC1=C2C(=NN(C2=NC3=CC=CC=C31)C)C
InChI
InChI=1S/C17H22N4/c1-5-8-11(2)18-16-13-9-6-7-10-14(13)19-17-15(16)12(3)20-21(17)4/h6-7,9-11H,5,8H2,1-4H3,(H,18,19)
InChIKey
QZXKRRYQMIKDAJ-UHFFFAOYSA-N
Compound name
1,3-dimethyl-N-pentan-2-ylpyrazolo[3,4-b]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.18445 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.19173 170.0
[M+Na]+ 305.17367 180.2
[M-H]- 281.17717 172.2
[M+NH4]+ 300.21827 186.3
[M+K]+ 321.14761 174.6
[M+H-H2O]+ 265.18171 161.1
[M+HCOO]- 327.18265 189.7
[M+CH3COO]- 341.19830 181.3
[M+Na-2H]- 303.15912 174.6
[M]+ 282.18390 174.2
[M]- 282.18500 174.2
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.