CID 51060035

882864-73-5

Structural Information

Molecular Formula
C19H18N4
SMILES
CC1=C2C(=C3C=CC=CC3=NC2=NN1)NCCC4=CC=CC=C4
InChI
InChI=1S/C19H18N4/c1-13-17-18(20-12-11-14-7-3-2-4-8-14)15-9-5-6-10-16(15)21-19(17)23-22-13/h2-10H,11-12H2,1H3,(H2,20,21,22,23)
InChIKey
YQOJJMFGBNUHOE-UHFFFAOYSA-N
Compound name
3-methyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.15314 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.16042 172.1
[M+Na]+ 325.14236 188.6
[M+NH4]+ 320.18696 180.9
[M+K]+ 341.11630 180.7
[M-H]- 301.14586 177.1
[M+Na-2H]- 323.12781 181.2
[M]+ 302.15259 176.0
[M]- 302.15369 176.0
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.