CID 3065108

Benzenemethanamine, 4-(dimethylamino)-n-(4-methoxyphenyl)-3-nitro-

Structural Information

Molecular Formula
C16H19N3O3
SMILES
CN(C)C1=C(C=C(C=C1)CNC2=CC=C(C=C2)OC)[N+](=O)[O-]
InChI
InChI=1S/C16H19N3O3/c1-18(2)15-9-4-12(10-16(15)19(20)21)11-17-13-5-7-14(22-3)8-6-13/h4-10,17H,11H2,1-3H3
InChIKey
ZWNKKJABIQKYEW-UHFFFAOYSA-N
Compound name
4-[(4-methoxyanilino)methyl]-N,N-dimethyl-2-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.14264 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.14992 168.8
[M+Na]+ 324.13186 173.8
[M-H]- 300.13536 176.9
[M+NH4]+ 319.17646 182.9
[M+K]+ 340.10580 167.8
[M+H-H2O]+ 284.13990 164.4
[M+HCOO]- 346.14084 196.1
[M+CH3COO]- 360.15649 208.1
[M+Na-2H]- 322.11731 174.8
[M]+ 301.14209 169.6
[M]- 301.14319 169.6
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

No patent data available for this compound.