CID 63794

4(3h)-quinazolinone, 2-((2-imidazolin-2-ylthio)methyl)-3-o-tolyl-, monohydrobromide

Structural Information

Molecular Formula
C19H18N4OS
SMILES
CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CSC4=NCCN4
InChI
InChI=1S/C19H18N4OS/c1-13-6-2-5-9-16(13)23-17(12-25-19-20-10-11-21-19)22-15-8-4-3-7-14(15)18(23)24/h2-9H,10-12H2,1H3,(H,20,21)
InChIKey
JABVHBHYODOITJ-UHFFFAOYSA-N
Compound name
2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-3-(2-methylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.12012 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.12740 182.6
[M+Na]+ 373.10934 193.1
[M-H]- 349.11284 187.4
[M+NH4]+ 368.15394 193.3
[M+K]+ 389.08328 184.6
[M+H-H2O]+ 333.11738 172.8
[M+HCOO]- 395.11832 194.7
[M+CH3COO]- 409.13397 192.1
[M+Na-2H]- 371.09479 183.4
[M]+ 350.11957 183.8
[M]- 350.12067 183.8
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.