CID 3046096

N,n'-dimethyl-s-(3-(o-tolyl)-4(3h)-oxoquinazolin-2-ylmethyl)thiouronium bromide

Structural Information

Molecular Formula
C19H20N4OS
SMILES
CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CSC(=NC)NC
InChI
InChI=1S/C19H20N4OS/c1-13-8-4-7-11-16(13)23-17(12-25-19(20-2)21-3)22-15-10-6-5-9-14(15)18(23)24/h4-11H,12H2,1-3H3,(H,20,21)
InChIKey
NROOGRDLFVWWLO-UHFFFAOYSA-N
Compound name
[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]methyl N,N'-dimethylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.13577 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14305 182.4
[M+Na]+ 375.12499 197.1
[M+NH4]+ 370.16959 190.2
[M+K]+ 391.09893 186.5
[M-H]- 351.12849 188.0
[M+Na-2H]- 373.11044 190.9
[M]+ 352.13522 186.6
[M]- 352.13632 186.6
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.