CID 19074

3,3'-dimethyl-n-acetylbenzidine

Structural Information

Molecular Formula
C16H18N2O
SMILES
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C)C)N
InChI
InChI=1S/C16H18N2O/c1-10-8-13(4-6-15(10)17)14-5-7-16(11(2)9-14)18-12(3)19/h4-9H,17H2,1-3H3,(H,18,19)
InChIKey
GHTBEGLKAXDXCH-UHFFFAOYSA-N
Compound name
N-[4-(4-amino-3-methylphenyl)-2-methylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

254.1419 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14918 160.1
[M+Na]+ 277.13112 168.0
[M-H]- 253.13462 167.2
[M+NH4]+ 272.17572 176.9
[M+K]+ 293.10506 163.8
[M+H-H2O]+ 237.13916 152.6
[M+HCOO]- 299.14010 184.6
[M+CH3COO]- 313.15575 203.5
[M+Na-2H]- 275.11657 162.6
[M]+ 254.14135 159.1
[M]- 254.14245 159.1
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.