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]+ 271.15535 162.8
[M+Na]+ 293.13729 172.1
[M-H]- 269.14079 162.4
[M+NH4]+ 288.18189 177.9
[M+K]+ 309.11123 166.0
[M+H-H2O]+ 253.14533 154.7
[M+HCOO]- 315.14627 180.5
[M+CH3COO]- 329.16192 173.4
[M+Na-2H]- 291.12274 168.7
[M]+ 270.14752 163.9
[M]- 270.14862 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