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 190.7
[M+Na]+ 399.17912 198.4
[M-H]- 375.18262 193.1
[M+NH4]+ 394.22372 200.8
[M+K]+ 415.15306 191.0
[M+H-H2O]+ 359.18716 180.5
[M+HCOO]- 421.18810 207.2
[M+CH3COO]- 435.20375 199.1
[M+Na-2H]- 397.16457 194.7
[M]+ 376.18935 193.1
[M]- 376.19045 193.1
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.