CID 40234001

N-methyl-4-(methylamino)-3-nitrobenzamide

Structural Information

Molecular Formula
C9H11N3O3
SMILES
CNC1=C(C=C(C=C1)C(=O)NC)[N+](=O)[O-]
InChI
InChI=1S/C9H11N3O3/c1-10-7-4-3-6(9(13)11-2)5-8(7)12(14)15/h3-5,10H,1-2H3,(H,11,13)
InChIKey
FDPTYFWGUOZYDO-UHFFFAOYSA-N
Compound name
N-methyl-4-(methylamino)-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

209.08005 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.08733 141.4
[M+Na]+ 232.06927 147.6
[M-H]- 208.07277 145.4
[M+NH4]+ 227.11387 158.9
[M+K]+ 248.04321 142.3
[M+H-H2O]+ 192.07731 139.4
[M+HCOO]- 254.07825 168.5
[M+CH3COO]- 268.09390 185.6
[M+Na-2H]- 230.05472 148.6
[M]+ 209.07950 139.3
[M]- 209.08060 139.3
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

patents stripe