CID 370825

Nsc644476

Structural Information

Molecular Formula
C20H20ClN3O3
SMILES
CC1=CC=C(C=C1)N(C(=O)CC(=O)NN=C(C)C)C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C20H20ClN3O3/c1-13(2)22-23-18(25)12-19(26)24(15-10-8-14(3)9-11-15)20(27)16-6-4-5-7-17(16)21/h4-11H,12H2,1-3H3,(H,23,25)
InChIKey
JRMBTTXVDDPWNE-UHFFFAOYSA-N
Compound name
N'-(2-chlorobenzoyl)-N'-(4-methylphenyl)-N-(propan-2-ylideneamino)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.11932 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.12660 192.4
[M+Na]+ 408.10854 197.0
[M-H]- 384.11204 201.4
[M+NH4]+ 403.15314 204.8
[M+K]+ 424.08248 194.0
[M+H-H2O]+ 368.11658 183.9
[M+HCOO]- 430.11752 212.8
[M+CH3COO]- 444.13317 230.6
[M+Na-2H]- 406.09399 191.6
[M]+ 385.11877 196.6
[M]- 385.11987 196.6
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.