CID 455476

3,4-dihydroquinazolinon 4i

Structural Information

Molecular Formula
C19H14ClN3O3
SMILES
C1CC1C2(C3=C(C=CC(=C3)Cl)NC(=O)N2)C#CC4=CC=CC=C4[N+](=O)[O-]
InChI
InChI=1S/C19H14ClN3O3/c20-14-7-8-16-15(11-14)19(13-5-6-13,22-18(24)21-16)10-9-12-3-1-2-4-17(12)23(25)26/h1-4,7-8,11,13H,5-6H2,(H2,21,22,24)
InChIKey
BXKCPLKQZJHTRJ-UHFFFAOYSA-N
Compound name
6-chloro-4-cyclopropyl-4-[2-(2-nitrophenyl)ethynyl]-1,3-dihydroquinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

367.07236 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.07964 183.3
[M+Na]+ 390.06158 197.9
[M-H]- 366.06508 187.1
[M+NH4]+ 385.10618 190.1
[M+K]+ 406.03552 180.5
[M+H-H2O]+ 350.06962 176.2
[M+HCOO]- 412.07056 191.3
[M+CH3COO]- 426.08621 209.9
[M+Na-2H]- 388.04703 188.3
[M]+ 367.07181 177.4
[M]- 367.07291 177.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe