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 209.6
[M+Na]+ 458.16058 216.3
[M-H]- 434.16408 221.7
[M+NH4]+ 453.20518 220.6
[M+K]+ 474.13452 210.6
[M+H-H2O]+ 418.16862 199.4
[M+HCOO]- 480.16956 230.4
[M+CH3COO]- 494.18521 243.9
[M+Na-2H]- 456.14603 208.1
[M]+ 435.17081 214.3
[M]- 435.17191 214.3
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