CID 606532

N-methyl-7-nitro-2,1,3-benzoxadiazol-4-amine

Structural Information

Molecular Formula
C7H6N4O3
SMILES
CNC1=CC=C(C2=NON=C12)[N+](=O)[O-]
InChI
InChI=1S/C7H6N4O3/c1-8-4-2-3-5(11(12)13)7-6(4)9-14-10-7/h2-3,8H,1H3
InChIKey
UAPBYPSUWZVMRV-UHFFFAOYSA-N
Compound name
N-methyl-4-nitro-2,1,3-benzoxadiazol-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

53
Patents

194.04399 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.051266 133.3
[M+Na]+ 217.033208 143.2
[M-H]- 193.036714 137.2
[M+NH4]+ 212.077813 150.7
[M+K]+ 233.007148 138.2
[M+H-H2O]+ 177.041250 130.6
[M+HCOO]- 239.042191 159.4
[M+CH3COO]- 253.057841 178.4
[M+Na-2H]- 215.018656 145.8
[M]+ 194.04344142 135.1
[M]- 194.04453858 135.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe