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]+ 377.197176 190.7
[M+Na]+ 399.179118 198.4
[M-H]- 375.182624 193.1
[M+NH4]+ 394.223723 200.8
[M+K]+ 415.153058 191.0
[M+H-H2O]+ 359.187160 180.5
[M+HCOO]- 421.188101 207.2
[M+CH3COO]- 435.203751 199.1
[M+Na-2H]- 397.164566 194.7
[M]+ 376.18935142 193.1
[M]- 376.19044858 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.