CID 91713116

1445578-56-2

Structural Information

Molecular Formula
C24H22ClNO
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)C3=CN(C4=CC=CC=C43)CCCCCCl
InChI
InChI=1S/C24H22ClNO/c25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17H,1,6-7,15-16H2
InChIKey
NZQRTHJPVKPTBV-UHFFFAOYSA-N
Compound name
[1-(5-chloropentyl)indol-3-yl]-naphthalen-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.13898 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.14626 193.2
[M+Na]+ 398.12820 202.3
[M-H]- 374.13170 199.9
[M+NH4]+ 393.17280 208.3
[M+K]+ 414.10214 193.4
[M+H-H2O]+ 358.13624 183.9
[M+HCOO]- 420.13718 208.9
[M+CH3COO]- 434.15283 203.3
[M+Na-2H]- 396.11365 195.5
[M]+ 375.13843 199.1
[M]- 375.13953 199.1
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.