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 169.4
[M+Na]+ 324.13186 182.7
[M+NH4]+ 319.17646 177.1
[M+K]+ 340.10580 178.3
[M-H]- 300.13536 176.3
[M+Na-2H]- 322.11731 177.8
[M]+ 301.14209 173.1
[M]- 301.14319 173.1
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.