CID 63552

Brn 4947674

Structural Information

Molecular Formula
C19H15N5O5S
SMILES
COC1=CC=C(C=C1)N=C2N(C(=O)CS2)CN3C=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C19H15N5O5S/c1-29-14-5-2-12(3-6-14)21-19-23(17(25)9-30-19)11-22-10-20-16-7-4-13(24(27)28)8-15(16)18(22)26/h2-8,10H,9,11H2,1H3
InChIKey
YOOSSMULGFMIFE-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)imino-3-[(6-nitro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.07938 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.08666 192.8
[M+Na]+ 448.06860 206.7
[M+NH4]+ 443.11320 198.3
[M+K]+ 464.04254 202.8
[M-H]- 424.07210 198.4
[M+Na-2H]- 446.05405 199.6
[M]+ 425.07883 196.5
[M]- 425.07993 196.5
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.