CID 136181701

129604-78-0

Structural Information

Molecular Formula
C25H26ClN3O2
SMILES
CCN(CC)C1=CC(=C(C=C1)N=C2C=C(C(=O)C(=C2C)Cl)NC(=O)C3=CC=CC=C3)C
InChI
InChI=1S/C25H26ClN3O2/c1-5-29(6-2)19-12-13-20(16(3)14-19)27-21-15-22(24(30)23(26)17(21)4)28-25(31)18-10-8-7-9-11-18/h7-15H,5-6H2,1-4H3,(H,28,31)
InChIKey
CXQLLORSESKKFJ-UHFFFAOYSA-N
Compound name
N-[5-chloro-3-[4-(diethylamino)-2-methylphenyl]imino-4-methyl-6-oxocyclohexa-1,4-dien-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

435.17136 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.17864 208.6
[M+Na]+ 458.16058 223.0
[M+NH4]+ 453.20518 215.7
[M+K]+ 474.13452 213.5
[M-H]- 434.16408 216.9
[M+Na-2H]- 456.14603 217.5
[M]+ 435.17081 213.3
[M]- 435.17191 213.3
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

patents stripe