CID 3065107

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

Structural Information

Molecular Formula
C16H19N3O2
SMILES
CC1=CC=C(C=C1)NCC2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]
InChI
InChI=1S/C16H19N3O2/c1-12-4-7-14(8-5-12)17-11-13-6-9-15(18(2)3)16(10-13)19(20)21/h4-10,17H,11H2,1-3H3
InChIKey
KIYHARSOCMZTIJ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-[(4-methylanilino)methyl]-2-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.14774 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.15502 165.7
[M+Na]+ 308.13696 170.8
[M-H]- 284.14046 173.7
[M+NH4]+ 303.18156 180.6
[M+K]+ 324.11090 164.2
[M+H-H2O]+ 268.14500 161.6
[M+HCOO]- 330.14594 192.8
[M+CH3COO]- 344.16159 206.0
[M+Na-2H]- 306.12241 171.5
[M]+ 285.14719 165.2
[M]- 285.14829 165.2
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.