CID 63549

Brn 4947396

Structural Information

Molecular Formula
C19H16N4O3S
SMILES
COC1=CC=C(C=C1)N=C2N(C(=O)CS2)CN3C=NC4=CC=CC=C4C3=O
InChI
InChI=1S/C19H16N4O3S/c1-26-14-8-6-13(7-9-14)21-19-23(17(24)10-27-19)12-22-11-20-16-5-3-2-4-15(16)18(22)25/h2-9,11H,10,12H2,1H3
InChIKey
WXVSRMMORJPAJO-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)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

380.0943 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.10158 188.5
[M+Na]+ 403.08352 198.5
[M-H]- 379.08702 197.2
[M+NH4]+ 398.12812 199.9
[M+K]+ 419.05746 192.3
[M+H-H2O]+ 363.09156 178.3
[M+HCOO]- 425.09250 205.0
[M+CH3COO]- 439.10815 198.8
[M+Na-2H]- 401.06897 189.6
[M]+ 380.09375 192.4
[M]- 380.09485 192.4
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.