CID 55271

Brn 5198609

Structural Information

Molecular Formula
C28H25ClN4O5
SMILES
COC(=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/C28H25ClN4O5/c1-37-28(36)19-4-9-22(10-5-19)31-26(34)18-2-7-21(8-3-18)30-25-23-16-20(29)6-11-24(23)33(27(25)35)17-32-12-14-38-15-13-32/h2-11,16H,12-15,17H2,1H3,(H,31,34)
InChIKey
ZGCAPVPOSIBHEN-UHFFFAOYSA-N
Compound name
methyl 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

532.15137 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.15865 227.6
[M+Na]+ 555.14059 231.9
[M-H]- 531.14409 239.5
[M+NH4]+ 550.18519 231.3
[M+K]+ 571.11453 227.3
[M+H-H2O]+ 515.14863 215.2
[M+HCOO]- 577.14957 239.0
[M+CH3COO]- 591.16522 233.8
[M+Na-2H]- 553.12604 224.8
[M]+ 532.15082 229.6
[M]- 532.15192 229.6
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.