CID 53301992

1269400-04-5

Structural Information

Molecular Formula
C11H12N4O3
SMILES
CN(C)C=NC1=CC(=C(C=C1C#N)[N+](=O)[O-])OC
InChI
InChI=1S/C11H12N4O3/c1-14(2)7-13-9-5-11(18-3)10(15(16)17)4-8(9)6-12/h4-5,7H,1-3H3
InChIKey
KRQJJPTWQAWICH-UHFFFAOYSA-N
Compound name
N'-(2-cyano-5-methoxy-4-nitrophenyl)-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

248.09094 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.098216 158.3
[M+Na]+ 271.080158 166.7
[M-H]- 247.083664 163.8
[M+NH4]+ 266.124763 173.6
[M+K]+ 287.054098 162.6
[M+H-H2O]+ 231.088200 148.5
[M+HCOO]- 293.089141 182.9
[M+CH3COO]- 307.104791 210.0
[M+Na-2H]- 269.065606 163.4
[M]+ 248.09039142 155.2
[M]- 248.09148858 155.2
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