CID 63483

4(3h)-quinazolinone, 3-(3-chloro-o-tolyl)-2-((2-imidazolin-2-ylmethyl)thio)-, monohydrobromide

Structural Information

Molecular Formula
C19H17ClN4OS
SMILES
CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SCC4=NCCN4
InChI
InChI=1S/C19H17ClN4OS/c1-12-14(20)6-4-8-16(12)24-18(25)13-5-2-3-7-15(13)23-19(24)26-11-17-21-9-10-22-17/h2-8H,9-11H2,1H3,(H,21,22)
InChIKey
CRBVVGZWJXIMFL-UHFFFAOYSA-N
Compound name
3-(3-chloro-2-methylphenyl)-2-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.08115 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.08843 188.8
[M+Na]+ 407.07037 200.4
[M-H]- 383.07387 193.6
[M+NH4]+ 402.11497 199.0
[M+K]+ 423.04431 191.0
[M+H-H2O]+ 367.07841 179.2
[M+HCOO]- 429.07935 196.1
[M+CH3COO]- 443.09500 198.1
[M+Na-2H]- 405.05582 188.3
[M]+ 384.08060 192.4
[M]- 384.08170 192.4
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.