CID 438525

Nsc642945

Structural Information

Molecular Formula
C23H14ClNO
SMILES
C1C2=CC=CC=C2C3=C1C(=NC4=C3C=C(C=C4)Cl)C(=O)C5=CC=CC=C5
InChI
InChI=1S/C23H14ClNO/c24-16-10-11-20-18(13-16)21-17-9-5-4-8-15(17)12-19(21)22(25-20)23(26)14-6-2-1-3-7-14/h1-11,13H,12H2
InChIKey
XSOHPQNWZGFDPR-UHFFFAOYSA-N
Compound name
(2-chloro-7H-indeno[2,1-c]quinolin-6-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.0764 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.08368 184.5
[M+Na]+ 378.06562 195.2
[M-H]- 354.06912 192.6
[M+NH4]+ 373.11022 201.2
[M+K]+ 394.03956 186.2
[M+H-H2O]+ 338.07366 175.3
[M+HCOO]- 400.07460 198.8
[M+CH3COO]- 414.09025 195.4
[M+Na-2H]- 376.05107 188.4
[M]+ 355.07585 187.7
[M]- 355.07695 187.7
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

No patent data available for this compound.