CID 49768488

Schembl5316742

Structural Information

Molecular Formula
C18H12ClN3O
SMILES
C1=CC2=C(C=CC(=C2)NC3=NC=C(O3)C4=CC=C(C=C4)Cl)N=C1
InChI
InChI=1S/C18H12ClN3O/c19-14-5-3-12(4-6-14)17-11-21-18(23-17)22-15-7-8-16-13(10-15)2-1-9-20-16/h1-11H,(H,21,22)
InChIKey
QJURLZNPQBHHAC-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-N-quinolin-6-yl-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

321.0669 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.07418 172.5
[M+Na]+ 344.05612 183.8
[M-H]- 320.05962 181.8
[M+NH4]+ 339.10072 185.9
[M+K]+ 360.03006 177.2
[M+H-H2O]+ 304.06416 162.6
[M+HCOO]- 366.06510 191.5
[M+CH3COO]- 380.08075 184.7
[M+Na-2H]- 342.04157 180.0
[M]+ 321.06635 177.1
[M]- 321.06745 177.1
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