CID 394341

Nsc697710

Structural Information

Molecular Formula
C15H19ClN6
SMILES
CCN(CC)CCN1C2=NC3=C(C=C(C=C3)Cl)N=C2C(=N1)N
InChI
InChI=1S/C15H19ClN6/c1-3-21(4-2)7-8-22-15-13(14(17)20-22)18-12-9-10(16)5-6-11(12)19-15/h5-6,9H,3-4,7-8H2,1-2H3,(H2,17,20)
InChIKey
DVFBARQYSUHULQ-UHFFFAOYSA-N
Compound name
6-chloro-1-[2-(diethylamino)ethyl]pyrazolo[3,4-b]quinoxalin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.136 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14328 175.4
[M+Na]+ 341.12522 186.7
[M-H]- 317.12872 177.0
[M+NH4]+ 336.16982 189.7
[M+K]+ 357.09916 180.4
[M+H-H2O]+ 301.13326 165.7
[M+HCOO]- 363.13420 191.6
[M+CH3COO]- 377.14985 186.2
[M+Na-2H]- 339.11067 180.6
[M]+ 318.13545 181.6
[M]- 318.13655 181.6
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.