CID 9569894

Nsc623023

Structural Information

Molecular Formula
C13H17N7O
SMILES
CC1=NN2C3=C(CCCC3)N=C(C2=N1)/C(=N/NC(=O)C)/N
InChI
InChI=1S/C13H17N7O/c1-7-15-13-11(12(14)18-17-8(2)21)16-9-5-3-4-6-10(9)20(13)19-7/h3-6H2,1-2H3,(H2,14,18)(H,17,21)
InChIKey
FPVCTAZASCQPTP-UHFFFAOYSA-N
Compound name
N-[(Z)-[amino-(2-methyl-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinoxalin-4-yl)methylidene]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.14944 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15672 164.9
[M+Na]+ 310.13866 172.9
[M-H]- 286.14216 166.5
[M+NH4]+ 305.18326 178.8
[M+K]+ 326.11260 169.2
[M+H-H2O]+ 270.14670 155.2
[M+HCOO]- 332.14764 184.5
[M+CH3COO]- 346.16329 175.1
[M+Na-2H]- 308.12411 170.6
[M]+ 287.14889 164.0
[M]- 287.14999 164.0
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.