CID 473558

N-(3-methoxyphenyl)picrylamine

Structural Information

Molecular Formula
C13H10N4O7
SMILES
COC1=CC=CC(=C1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C13H10N4O7/c1-24-10-4-2-3-8(5-10)14-13-11(16(20)21)6-9(15(18)19)7-12(13)17(22)23/h2-7,14H,1H3
InChIKey
DCHYUBGQYANXJL-UHFFFAOYSA-N
Compound name
N-(3-methoxyphenyl)-2,4,6-trinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.05496 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.06224 173.3
[M+Na]+ 357.04418 178.7
[M+NH4]+ 352.08878 181.8
[M+K]+ 373.01812 187.7
[M-H]- 333.04768 170.0
[M+Na-2H]- 355.02963 171.3
[M]+ 334.05441 175.2
[M]- 334.05551 175.2
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

No patent data available for this compound.