CID 55274

Brn 5198886

Structural Information

Molecular Formula
C30H29ClN4O4
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)CN5CCCCC5
InChI
InChI=1S/C30H29ClN4O4/c1-2-39-30(38)21-8-13-24(14-9-21)33-28(36)20-6-11-23(12-7-20)32-27-25-18-22(31)10-15-26(25)35(29(27)37)19-34-16-4-3-5-17-34/h6-15,18H,2-5,16-17,19H2,1H3,(H,33,36)
InChIKey
WVCSLSBBFNGFGE-UHFFFAOYSA-N
Compound name
ethyl 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

544.18774 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.19502 231.8
[M+Na]+ 567.17696 235.2
[M-H]- 543.18046 242.5
[M+NH4]+ 562.22156 236.3
[M+K]+ 583.15090 228.4
[M+H-H2O]+ 527.18500 219.0
[M+HCOO]- 589.18594 243.2
[M+CH3COO]- 603.20159 237.2
[M+Na-2H]- 565.16241 227.6
[M]+ 544.18719 232.4
[M]- 544.18829 232.4
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.