CID 55270

Brn 5181204

Structural Information

Molecular Formula
C27H24ClN3O4
SMILES
CCCCOC(=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/C27H24ClN3O4/c1-3-4-15-35-27(34)18-7-12-21(13-8-18)30-25(32)17-5-10-20(11-6-17)29-24-22-16-19(28)9-14-23(22)31(2)26(24)33/h5-14,16H,3-4,15H2,1-2H3,(H,30,32)
InChIKey
OBQVDUJSZPENOL-UHFFFAOYSA-N
Compound name
butyl 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

489.14554 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.15282 220.0
[M+Na]+ 512.13476 226.9
[M-H]- 488.13826 230.6
[M+NH4]+ 507.17936 229.3
[M+K]+ 528.10870 220.4
[M+H-H2O]+ 472.14280 209.7
[M+HCOO]- 534.14374 237.2
[M+CH3COO]- 548.15939 245.4
[M+Na-2H]- 510.12021 217.7
[M]+ 489.14499 226.1
[M]- 489.14609 226.1
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.