CID 489169

5-chloro-n-[(e)-[1-(morpholinomethyl)-2-oxo-indolin-3-ylidene]amino]-3-phenyl-1h-indole-2-carboxamide

Structural Information

Molecular Formula
C28H24ClN5O3
SMILES
C1COCCN1CN2C3=CC=CC=C3C(=C2O)N=NC(=O)C4=C(C5=C(N4)C=CC(=C5)Cl)C6=CC=CC=C6
InChI
InChI=1S/C28H24ClN5O3/c29-19-10-11-22-21(16-19)24(18-6-2-1-3-7-18)26(30-22)27(35)32-31-25-20-8-4-5-9-23(20)34(28(25)36)17-33-12-14-37-15-13-33/h1-11,16,30,36H,12-15,17H2
InChIKey
WTHYWXWOQKCBKL-UHFFFAOYSA-N
Compound name
5-chloro-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-3-phenyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.15674 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.16402 220.2
[M+Na]+ 536.14596 228.2
[M-H]- 512.14946 232.2
[M+NH4]+ 531.19056 226.1
[M+K]+ 552.11990 221.1
[M+H-H2O]+ 496.15400 208.4
[M+HCOO]- 558.15494 233.7
[M+CH3COO]- 572.17059 227.8
[M+Na-2H]- 534.13141 220.0
[M]+ 513.15619 224.2
[M]- 513.15729 224.2
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.