CID 3323554

105774-22-9

Structural Information

Molecular Formula
C15H18N4O
SMILES
CCC(CO)NC1=C2C=CC=CC2=NC3=NNC(=C13)C
InChI
InChI=1S/C15H18N4O/c1-3-10(8-20)16-14-11-6-4-5-7-12(11)17-15-13(14)9(2)18-19-15/h4-7,10,20H,3,8H2,1-2H3,(H2,16,17,18,19)
InChIKey
AZTQHENDBGVFJJ-UHFFFAOYSA-N
Compound name
2-[(3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)amino]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.14807 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.155346 162.8
[M+Na]+ 293.137288 172.1
[M-H]- 269.140794 162.4
[M+NH4]+ 288.181893 177.9
[M+K]+ 309.111228 166.0
[M+H-H2O]+ 253.145330 154.7
[M+HCOO]- 315.146271 180.5
[M+CH3COO]- 329.161921 173.4
[M+Na-2H]- 291.122736 168.7
[M]+ 270.14752142 163.9
[M]- 270.14861858 163.9
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

patents stripe