CID 55278

Brn 5200846

Structural Information

Molecular Formula
C32H33ClN4O4
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)CN5CCCCC5
InChI
InChI=1S/C32H33ClN4O4/c1-2-3-19-41-32(40)23-9-14-26(15-10-23)35-30(38)22-7-12-25(13-8-22)34-29-27-20-24(33)11-16-28(27)37(31(29)39)21-36-17-5-4-6-18-36/h7-16,20H,2-6,17-19,21H2,1H3,(H,35,38)
InChIKey
VKHQGBMGZPCAEN-UHFFFAOYSA-N
Compound name
butyl 4-[[4-[[5-chloro-2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]benzoyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.21906 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.22634 240.0
[M+Na]+ 595.20828 242.4
[M-H]- 571.21178 250.3
[M+NH4]+ 590.25288 243.4
[M+K]+ 611.18222 235.3
[M+H-H2O]+ 555.21632 226.8
[M+HCOO]- 617.21726 250.8
[M+CH3COO]- 631.23291 259.5
[M+Na-2H]- 593.19373 234.8
[M]+ 572.21851 241.2
[M]- 572.21961 241.2
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.