CID 63140

Brn 0690510

Structural Information

Molecular Formula
C18H15ClN2O
SMILES
C1CC1CN2C3=C(C=C(C=C3)Cl)C(=NC2=O)C4=CC=CC=C4
InChI
InChI=1S/C18H15ClN2O/c19-14-8-9-16-15(10-14)17(13-4-2-1-3-5-13)20-18(22)21(16)11-12-6-7-12/h1-5,8-10,12H,6-7,11H2
InChIKey
IXVBNJRBXHFFPQ-UHFFFAOYSA-N
Compound name
6-chloro-1-(cyclopropylmethyl)-4-phenylquinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

310.08728 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09456 173.9
[M+Na]+ 333.07650 186.1
[M-H]- 309.08000 181.9
[M+NH4]+ 328.12110 183.1
[M+K]+ 349.05044 178.1
[M+H-H2O]+ 293.08454 164.2
[M+HCOO]- 355.08548 190.3
[M+CH3COO]- 369.10113 184.8
[M+Na-2H]- 331.06195 179.0
[M]+ 310.08673 178.7
[M]- 310.08783 178.7
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

patents stripe