CID 3065119

Benzenemethanamine, n-(2,5-dichlorophenyl)-4-(dimethylamino)-3-nitro-

Structural Information

Molecular Formula
C15H15Cl2N3O2
SMILES
CN(C)C1=C(C=C(C=C1)CNC2=C(C=CC(=C2)Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C15H15Cl2N3O2/c1-19(2)14-6-3-10(7-15(14)20(21)22)9-18-13-8-11(16)4-5-12(13)17/h3-8,18H,9H2,1-2H3
InChIKey
JKRNGDWZIQNHAJ-UHFFFAOYSA-N
Compound name
4-[(2,5-dichloroanilino)methyl]-N,N-dimethyl-2-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.05414 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.06142 177.9
[M+Na]+ 362.04336 184.8
[M-H]- 338.04686 184.8
[M+NH4]+ 357.08796 191.9
[M+K]+ 378.01730 175.9
[M+H-H2O]+ 322.05140 175.9
[M+HCOO]- 384.05234 195.4
[M+CH3COO]- 398.06799 212.0
[M+Na-2H]- 360.02881 181.5
[M]+ 339.05359 181.1
[M]- 339.05469 181.1
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

No patent data available for this compound.