CID 680914

18741-24-7

Structural Information

Molecular Formula
C14H10N2OS
SMILES
C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S
InChI
InChI=1S/C14H10N2OS/c17-13-11-8-4-5-9-12(11)15-14(18)16(13)10-6-2-1-3-7-10/h1-9H,(H,15,18)
InChIKey
CRGOYNYLYMPGKH-UHFFFAOYSA-N
Compound name
3-phenyl-2-sulfanylidene-1H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

78
Patents

254.05139 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.05867 153.1
[M+Na]+ 277.04061 164.6
[M-H]- 253.04411 157.6
[M+NH4]+ 272.08521 168.6
[M+K]+ 293.01455 157.1
[M+H-H2O]+ 237.04865 145.3
[M+HCOO]- 299.04959 168.8
[M+CH3COO]- 313.06524 165.3
[M+Na-2H]- 275.02606 159.0
[M]+ 254.05084 153.6
[M]- 254.05194 153.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe