CID 260958

2,4-dinitro-4'-methoxydiphenylamine

Structural Information

Molecular Formula
C13H11N3O5
SMILES
COC1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C13H11N3O5/c1-21-11-5-2-9(3-6-11)14-12-7-4-10(15(17)18)8-13(12)16(19)20/h2-8,14H,1H3
InChIKey
CXYDBMSOXLXDAC-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

36
Patents

289.0699 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.07718 162.0
[M+Na]+ 312.05912 166.8
[M-H]- 288.06262 168.7
[M+NH4]+ 307.10372 174.5
[M+K]+ 328.03306 156.3
[M+H-H2O]+ 272.06716 162.4
[M+HCOO]- 334.06810 188.6
[M+CH3COO]- 348.08375 193.1
[M+Na-2H]- 310.04457 170.9
[M]+ 289.06935 159.6
[M]- 289.07045 159.6
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