CID 63548

74875-78-8

Structural Information

Molecular Formula
C18H14N4O2S
SMILES
C1C(=O)N(C(=NC2=CC=CC=C2)S1)CN3C=NC4=CC=CC=C4C3=O
InChI
InChI=1S/C18H14N4O2S/c23-16-10-25-18(20-13-6-2-1-3-7-13)22(16)12-21-11-19-15-9-5-4-8-14(15)17(21)24/h1-9,11H,10,12H2
InChIKey
PCGDZYBZQDIEET-UHFFFAOYSA-N
Compound name
3-[(4-oxoquinazolin-3-yl)methyl]-2-phenylimino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.08374 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.09102 180.6
[M+Na]+ 373.07296 190.7
[M-H]- 349.07646 189.2
[M+NH4]+ 368.11756 193.2
[M+K]+ 389.04690 183.9
[M+H-H2O]+ 333.08100 170.5
[M+HCOO]- 395.08194 197.4
[M+CH3COO]- 409.09759 191.4
[M+Na-2H]- 371.05841 182.7
[M]+ 350.08319 182.5
[M]- 350.08429 182.5
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.