CID 3090069

4-acetamido-2',4'-dinitrodiphenylamine

Structural Information

Molecular Formula
C14H12N4O5
SMILES
CC(=O)NC1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C14H12N4O5/c1-9(19)15-10-2-4-11(5-3-10)16-13-7-6-12(17(20)21)8-14(13)18(22)23/h2-8,16H,1H3,(H,15,19)
InChIKey
NJPUKCQSRUPVHQ-UHFFFAOYSA-N
Compound name
N-[4-(2,4-dinitroanilino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

316.08078 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.08806 166.8
[M+Na]+ 339.07000 170.2
[M-H]- 315.07350 173.2
[M+NH4]+ 334.11460 177.7
[M+K]+ 355.04394 159.6
[M+H-H2O]+ 299.07804 166.8
[M+HCOO]- 361.07898 193.2
[M+CH3COO]- 375.09463 199.6
[M+Na-2H]- 337.05545 174.8
[M]+ 316.08023 162.6
[M]- 316.08133 162.6
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