CID 228389

N,n'-bis(3,4-dimethylphenyl)propanediamide

Structural Information

Molecular Formula
C19H22N2O2
SMILES
CC1=C(C=C(C=C1)NC(=O)CC(=O)NC2=CC(=C(C=C2)C)C)C
InChI
InChI=1S/C19H22N2O2/c1-12-5-7-16(9-14(12)3)20-18(22)11-19(23)21-17-8-6-13(2)15(4)10-17/h5-10H,11H2,1-4H3,(H,20,22)(H,21,23)
InChIKey
FPKMDVFAXRQSIY-UHFFFAOYSA-N
Compound name
N,N'-bis(3,4-dimethylphenyl)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

310.16812 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.175396 175.6
[M+Na]+ 333.157338 182.0
[M-H]- 309.160844 182.6
[M+NH4]+ 328.201943 190.1
[M+K]+ 349.131278 178.1
[M+H-H2O]+ 293.165380 167.3
[M+HCOO]- 355.166321 199.1
[M+CH3COO]- 369.181971 214.7
[M+Na-2H]- 331.142786 176.4
[M]+ 310.16757142 176.6
[M]- 310.16866858 176.6
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