CID 135568392

Brn 5174131

Structural Information

Molecular Formula
C26H22ClN3O4
SMILES
CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N=C3C4=C(C=CC(=C4)Cl)NC3=O
InChI
InChI=1S/C26H22ClN3O4/c1-2-3-14-34-26(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)30-25(23)32/h4-13,15H,2-3,14H2,1H3,(H,29,31)(H,28,30,32)
InChIKey
ZJXKUPOYSMFHGE-UHFFFAOYSA-N
Compound name
butyl 4-[[4-[(5-chloro-2-oxo-1H-indol-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

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.13716 214.3
[M+Na]+ 498.11910 220.4
[M-H]- 474.12260 223.5
[M+NH4]+ 493.16370 223.3
[M+K]+ 514.09304 213.4
[M+H-H2O]+ 458.12714 204.4
[M+HCOO]- 520.12808 230.5
[M+CH3COO]- 534.14373 239.1
[M+Na-2H]- 496.10455 213.0
[M]+ 475.12933 218.0
[M]- 475.13043 218.0
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.