CID 437979

Nsc607953

Structural Information

Molecular Formula
C11H10N6O2
SMILES
CC1=NC2=C(N1C)C3=NNN=C3C(=C2)C(=O)NC=O
InChI
InChI=1S/C11H10N6O2/c1-5-13-7-3-6(11(19)12-4-18)8-9(15-16-14-8)10(7)17(5)2/h3-4H,1-2H3,(H,12,18,19)(H,14,15,16)
InChIKey
JNJKWDBSAYLPMX-UHFFFAOYSA-N
Compound name
N-formyl-7,8-dimethyl-2H-imidazo[4,5-e]benzotriazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.08652 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09380 157.0
[M+Na]+ 281.07574 170.5
[M-H]- 257.07924 157.3
[M+NH4]+ 276.12034 172.6
[M+K]+ 297.04968 165.6
[M+H-H2O]+ 241.08378 148.9
[M+HCOO]- 303.08472 177.6
[M+CH3COO]- 317.10037 169.3
[M+Na-2H]- 279.06119 162.4
[M]+ 258.08597 162.1
[M]- 258.08707 162.1
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.