CID 51060047

882864-84-8

Structural Information

Molecular Formula
C22H24N4O2
SMILES
CC1=NN(C2=NC3=CC=CC=C3C(=C12)NCCC4=CC=CC=C4)CC(CO)O
InChI
InChI=1S/C22H24N4O2/c1-15-20-21(23-12-11-16-7-3-2-4-8-16)18-9-5-6-10-19(18)24-22(20)26(25-15)13-17(28)14-27/h2-10,17,27-28H,11-14H2,1H3,(H,23,24)
InChIKey
OAQHCUINGLIUAN-UHFFFAOYSA-N
Compound name
3-[3-methyl-4-(2-phenylethylamino)pyrazolo[3,4-b]quinolin-1-yl]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1899 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.19718 192.7
[M+Na]+ 399.17912 207.0
[M+NH4]+ 394.22372 199.3
[M+K]+ 415.15306 200.8
[M-H]- 375.18262 196.1
[M+Na-2H]- 397.16457 198.9
[M]+ 376.18935 195.7
[M]- 376.19045 195.7
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.