CID 95277

P-malonotoluidide

Structural Information

Molecular Formula
C17H18N2O2
SMILES
CC1=CC=C(C=C1)NC(=O)CC(=O)NC2=CC=C(C=C2)C
InChI
InChI=1S/C17H18N2O2/c1-12-3-7-14(8-4-12)18-16(20)11-17(21)19-15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKey
CIGKFIJIRVGTGE-UHFFFAOYSA-N
Compound name
N,N'-bis(4-methylphenyl)propanediamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

28
Patents

282.13684 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14412 166.6
[M+Na]+ 305.12606 172.1
[M-H]- 281.12956 173.3
[M+NH4]+ 300.17066 181.7
[M+K]+ 321.10000 168.5
[M+H-H2O]+ 265.13410 158.3
[M+HCOO]- 327.13504 190.9
[M+CH3COO]- 341.15069 206.2
[M+Na-2H]- 303.11151 170.0
[M]+ 282.13629 166.2
[M]- 282.13739 166.2
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