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

4
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

literature stripe

Patent stripe

patents stripe