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 170.6
[M+Na]+ 325.14236 180.2
[M-H]- 301.14586 174.3
[M+NH4]+ 320.18696 184.5
[M+K]+ 341.11630 172.0
[M+H-H2O]+ 285.15040 160.5
[M+HCOO]- 347.15134 190.4
[M+CH3COO]- 361.16699 181.2
[M+Na-2H]- 323.12781 178.1
[M]+ 302.15259 171.3
[M]- 302.15369 171.3
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.