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]+ 195.05127 133.3
[M+Na]+ 217.03321 143.2
[M-H]- 193.03671 137.2
[M+NH4]+ 212.07781 150.7
[M+K]+ 233.00715 138.2
[M+H-H2O]+ 177.04125 130.6
[M+HCOO]- 239.04219 159.4
[M+CH3COO]- 253.05784 178.4
[M+Na-2H]- 215.01866 145.8
[M]+ 194.04344 135.1
[M]- 194.04454 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.