CID 55269

Brn 5177797

Structural Information

Molecular Formula
C26H22ClN3O4
SMILES
CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N=C3C4=C(C=CC(=C4)Cl)N(C3=O)C
InChI
InChI=1S/C26H22ClN3O4/c1-3-14-34-26(33)17-6-11-20(12-7-17)29-24(31)16-4-9-19(10-5-16)28-23-21-15-18(27)8-13-22(21)30(2)25(23)32/h4-13,15H,3,14H2,1-2H3,(H,29,31)
InChIKey
KSKJWYTYYMSDTO-UHFFFAOYSA-N
Compound name
propyl 4-[[4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]benzoyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.12988 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.13716 215.5
[M+Na]+ 498.11910 222.9
[M-H]- 474.12260 226.4
[M+NH4]+ 493.16370 225.5
[M+K]+ 514.09304 216.7
[M+H-H2O]+ 458.12714 205.4
[M+HCOO]- 520.12808 233.1
[M+CH3COO]- 534.14373 242.5
[M+Na-2H]- 496.10455 213.8
[M]+ 475.12933 221.4
[M]- 475.13043 221.4
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.