CID 460592

N'-[(3e)-2-oxo-1,2-dihydro-3h-indol-3-ylidene]-2-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]acetohydrazide

Structural Information

Molecular Formula
C24H17N5O3S
SMILES
C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N=NC4=C(NC5=CC=CC=C54)O
InChI
InChI=1S/C24H17N5O3S/c30-20(27-28-21-16-10-4-6-12-18(16)25-22(21)31)14-33-24-26-19-13-7-5-11-17(19)23(32)29(24)15-8-2-1-3-9-15/h1-13,25,31H,14H2
InChIKey
FGQJOOHZIHENMW-UHFFFAOYSA-N
Compound name
N-[(2-hydroxy-1H-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

455.10522 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.11250 204.8
[M+Na]+ 478.09444 214.8
[M-H]- 454.09794 213.5
[M+NH4]+ 473.13904 212.8
[M+K]+ 494.06838 206.7
[M+H-H2O]+ 438.10248 194.3
[M+HCOO]- 500.10342 221.8
[M+CH3COO]- 514.11907 213.6
[M+Na-2H]- 476.07989 209.7
[M]+ 455.10467 210.2
[M]- 455.10577 210.2
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.