CID 9570663

61554-93-6

Structural Information

Molecular Formula
C17H17N5OS
SMILES
CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CS/C(=N/N)/N
InChI
InChI=1S/C17H17N5OS/c1-11-6-2-5-9-14(11)22-15(10-24-17(18)21-19)20-13-8-4-3-7-12(13)16(22)23/h2-9H,10,19H2,1H3,(H2,18,21)
InChIKey
WDDXKIXOGHVZPC-UHFFFAOYSA-N
Compound name
[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]methyl N'-aminocarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1154 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.12268 176.5
[M+Na]+ 362.10462 189.6
[M+NH4]+ 357.14922 183.8
[M+K]+ 378.07856 180.5
[M-H]- 338.10812 182.0
[M+Na-2H]- 360.09007 184.3
[M]+ 339.11485 180.2
[M]- 339.11595 180.2
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.