CID 55273

Brn 5199932

Structural Information

Molecular Formula
C29H27ClN4O5
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N=C3C4=C(C=CC(=C4)Cl)N(C3=O)CN5CCOCC5
InChI
InChI=1S/C29H27ClN4O5/c1-2-39-29(37)20-5-10-23(11-6-20)32-27(35)19-3-8-22(9-4-19)31-26-24-17-21(30)7-12-25(24)34(28(26)36)18-33-13-15-38-16-14-33/h3-12,17H,2,13-16,18H2,1H3,(H,32,35)
InChIKey
GYWHMUDHNNGWIZ-UHFFFAOYSA-N
Compound name
ethyl 4-[[4-[[5-chloro-1-(morpholin-4-ylmethyl)-2-oxoindol-3-ylidene]amino]benzoyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

546.167 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.17428 231.8
[M+Na]+ 569.15622 235.7
[M-H]- 545.15972 243.5
[M+NH4]+ 564.20082 234.9
[M+K]+ 585.13016 230.8
[M+H-H2O]+ 529.16426 219.2
[M+HCOO]- 591.16520 242.8
[M+CH3COO]- 605.18085 237.5
[M+Na-2H]- 567.14167 228.5
[M]+ 546.16645 234.1
[M]- 546.16755 234.1
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.