CID 370217

Nsc642961

Structural Information

Molecular Formula
C19H14ClNO2
SMILES
C1CC2=C(C3=C(C=CC(=C3)Cl)N=C2C(=O)C4=CC=CC=C4)OC1
InChI
InChI=1S/C19H14ClNO2/c20-13-8-9-16-15(11-13)19-14(7-4-10-23-19)17(21-16)18(22)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2
InChIKey
QPRRTBAWMJJAGW-UHFFFAOYSA-N
Compound name
(9-chloro-3,4-dihydro-2H-pyrano[3,2-c]quinolin-5-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.07132 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.07860 172.5
[M+Na]+ 346.06054 181.1
[M-H]- 322.06404 179.6
[M+NH4]+ 341.10514 186.4
[M+K]+ 362.03448 175.6
[M+H-H2O]+ 306.06858 163.4
[M+HCOO]- 368.06952 184.3
[M+CH3COO]- 382.08517 183.2
[M+Na-2H]- 344.04599 178.6
[M]+ 323.07077 173.8
[M]- 323.07187 173.8
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.