CID 51060063

882865-06-7

Structural Information

Molecular Formula
C16H20N4O
SMILES
CCC(CO)NC1=C2C(=NN(C2=NC3=CC=CC=C31)C)C
InChI
InChI=1S/C16H20N4O/c1-4-11(9-21)17-15-12-7-5-6-8-13(12)18-16-14(15)10(2)19-20(16)3/h5-8,11,21H,4,9H2,1-3H3,(H,17,18)
InChIKey
JOVDBQGVUMKMQR-UHFFFAOYSA-N
Compound name
2-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1637 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.17098 168.4
[M+Na]+ 307.15292 178.5
[M-H]- 283.15642 169.5
[M+NH4]+ 302.19752 183.9
[M+K]+ 323.12686 172.9
[M+H-H2O]+ 267.16096 160.0
[M+HCOO]- 329.16190 187.2
[M+CH3COO]- 343.17755 179.4
[M+Na-2H]- 305.13837 173.3
[M]+ 284.16315 171.9
[M]- 284.16425 171.9
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

No patent data available for this compound.