CID 915231

Pseudourea, 2-((3,4-dihydro-4-oxo-3-phenylquinazolin-2-yl)methyl)-2-thio-, monohydrobromide

Structural Information

Molecular Formula
C16H14N4OS
SMILES
C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CSC(=N)N
InChI
InChI=1S/C16H14N4OS/c17-16(18)22-10-14-19-13-9-5-4-8-12(13)15(21)20(14)11-6-2-1-3-7-11/h1-9H,10H2,(H3,17,18)
InChIKey
SNUNBQVCXWBALX-UHFFFAOYSA-N
Compound name
(4-oxo-3-phenylquinazolin-2-yl)methyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

310.08884 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09612 168.0
[M+Na]+ 333.07806 182.1
[M+NH4]+ 328.12266 175.8
[M+K]+ 349.05200 172.6
[M-H]- 309.08156 173.0
[M+Na-2H]- 331.06351 176.6
[M]+ 310.08829 171.9
[M]- 310.08939 171.9
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.