CID 392852

Nsc693864

Structural Information

Molecular Formula
C14H17N5
SMILES
CC(C)CCN1C2=NC3=CC=CC=C3N=C2C(=N1)N
InChI
InChI=1S/C14H17N5/c1-9(2)7-8-19-14-12(13(15)18-19)16-10-5-3-4-6-11(10)17-14/h3-6,9H,7-8H2,1-2H3,(H2,15,18)
InChIKey
GUXLIVYUPGLNRC-UHFFFAOYSA-N
Compound name
1-(3-methylbutyl)pyrazolo[4,3-b]quinoxalin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14839 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15567 160.9
[M+Na]+ 278.13761 171.6
[M-H]- 254.14111 161.4
[M+NH4]+ 273.18221 176.3
[M+K]+ 294.11155 166.1
[M+H-H2O]+ 238.14565 151.6
[M+HCOO]- 300.14659 179.7
[M+CH3COO]- 314.16224 172.2
[M+Na-2H]- 276.12306 166.9
[M]+ 255.14784 163.3
[M]- 255.14894 163.3
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.