CID 458018

Nsc642965

Structural Information

Molecular Formula
C22H16ClNO2
SMILES
C1=CC=C(C=C1)C(=O)C2C3C(C4=CC=CC=C4O3)C5=C(N2)C=CC(=C5)Cl
InChI
InChI=1S/C22H16ClNO2/c23-14-10-11-17-16(12-14)19-15-8-4-5-9-18(15)26-22(19)20(24-17)21(25)13-6-2-1-3-7-13/h1-12,19-20,22,24H
InChIKey
YJCAMRNHQWFCNL-UHFFFAOYSA-N
Compound name
(2-chloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinolin-6-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.08694 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.09422 183.6
[M+Na]+ 384.07616 192.5
[M-H]- 360.07966 190.6
[M+NH4]+ 379.12076 198.1
[M+K]+ 400.05010 185.1
[M+H-H2O]+ 344.08420 175.3
[M+HCOO]- 406.08514 193.3
[M+CH3COO]- 420.10079 193.4
[M+Na-2H]- 382.06161 186.5
[M]+ 361.08639 184.2
[M]- 361.08749 184.2
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.