CID 55276

Brn 5199404

Structural Information

Molecular Formula
C31H31ClN4O4
SMILES
CCCOC(=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/C31H31ClN4O4/c1-2-18-40-31(39)22-8-13-25(14-9-22)34-29(37)21-6-11-24(12-7-21)33-28-26-19-23(32)10-15-27(26)36(30(28)38)20-35-16-4-3-5-17-35/h6-15,19H,2-5,16-18,20H2,1H3,(H,34,37)
InChIKey
DKPXSXGYGGKUGS-UHFFFAOYSA-N
Compound name
propyl 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

558.20337 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.21065 235.9
[M+Na]+ 581.19259 238.8
[M-H]- 557.19609 246.5
[M+NH4]+ 576.23719 239.8
[M+K]+ 597.16653 231.9
[M+H-H2O]+ 541.20063 222.9
[M+HCOO]- 603.20157 247.0
[M+CH3COO]- 617.21722 256.8
[M+Na-2H]- 579.17804 231.2
[M]+ 558.20282 236.8
[M]- 558.20392 236.8
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.