CID 460600

1-morpholinomethyl-3-[(3-phenyl-4(3h)-quinazolinone-2-yl)mercaptoacetylhydrazono]-2-indolinone

Structural Information

Molecular Formula
C29H26N6O4S
SMILES
C1COCCN1CN2C3=CC=CC=C3C(=C2O)N=NC(=O)CSC4=NC5=CC=CC=C5C(=O)N4C6=CC=CC=C6
InChI
InChI=1S/C29H26N6O4S/c36-25(18-40-29-30-23-12-6-4-10-21(23)27(37)35(29)20-8-2-1-3-9-20)31-32-26-22-11-5-7-13-24(22)34(28(26)38)19-33-14-16-39-17-15-33/h1-13,38H,14-19H2
InChIKey
KEVRKNVFMNTXCX-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

554.17365 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.18093 228.4
[M+Na]+ 577.16287 235.4
[M-H]- 553.16637 239.3
[M+NH4]+ 572.20747 229.5
[M+K]+ 593.13681 229.0
[M+H-H2O]+ 537.17091 215.5
[M+HCOO]- 599.17185 240.1
[M+CH3COO]- 613.18750 234.3
[M+Na-2H]- 575.14832 230.3
[M]+ 554.17310 232.6
[M]- 554.17420 232.6
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.