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]+ 351.091016 180.6
[M+Na]+ 373.072958 190.7
[M-H]- 349.076464 189.2
[M+NH4]+ 368.117563 193.2
[M+K]+ 389.046898 183.9
[M+H-H2O]+ 333.081000 170.5
[M+HCOO]- 395.081941 197.4
[M+CH3COO]- 409.097591 191.4
[M+Na-2H]- 371.058406 182.7
[M]+ 350.08319142 182.5
[M]- 350.08428858 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.