CID 55275

Brn 5201118

Structural Information

Molecular Formula
C30H29ClN4O5
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)CN5CCOCC5
InChI
InChI=1S/C30H29ClN4O5/c1-2-15-40-30(38)21-5-10-24(11-6-21)33-28(36)20-3-8-23(9-4-20)32-27-25-18-22(31)7-12-26(25)35(29(27)37)19-34-13-16-39-17-14-34/h3-12,18H,2,13-17,19H2,1H3,(H,33,36)
InChIKey
XQSQIODQJWIAMO-UHFFFAOYSA-N
Compound name
propyl 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

560.1826 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.18988 236.0
[M+Na]+ 583.17182 239.4
[M-H]- 559.17532 247.5
[M+NH4]+ 578.21642 238.5
[M+K]+ 599.14576 234.4
[M+H-H2O]+ 543.17986 223.2
[M+HCOO]- 605.18080 246.6
[M+CH3COO]- 619.19645 256.7
[M+Na-2H]- 581.15727 232.2
[M]+ 560.18205 238.6
[M]- 560.18315 238.6
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.