CID 63856

Brn 4947240

Structural Information

Molecular Formula
C19H16N4O2S
SMILES
CC1=CC=C(C=C1)N=C2N(C(=O)CS2)CN3C=NC4=CC=CC=C4C3=O
InChI
InChI=1S/C19H16N4O2S/c1-13-6-8-14(9-7-13)21-19-23(17(24)10-26-19)12-22-11-20-16-5-3-2-4-15(16)18(22)25/h2-9,11H,10,12H2,1H3
InChIKey
XCNFXUDRLSFTLQ-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)imino-3-[(4-oxoquinazolin-3-yl)methyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.0994 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.10668 184.1
[M+Na]+ 387.08862 199.3
[M+NH4]+ 382.13322 191.7
[M+K]+ 403.06256 190.7
[M-H]- 363.09212 189.8
[M+Na-2H]- 385.07407 192.4
[M]+ 364.09885 188.3
[M]- 364.09995 188.3
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.