CID 128340

66753-10-4

Structural Information

Molecular Formula
C24H22ClNO
SMILES
CC(C)C(C1=CC=C(C=C1)Cl)C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C24H22ClNO/c1-17(2)24(18-11-13-20(25)14-12-18)23(16-26)19-7-6-10-22(15-19)27-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3
InChIKey
XTIPCTXNTSRYDV-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-4-methyl-2-(3-phenoxyphenyl)pentanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

375.13898 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.14626 196.5
[M+Na]+ 398.12820 204.9
[M-H]- 374.13170 203.0
[M+NH4]+ 393.17280 207.1
[M+K]+ 414.10214 195.3
[M+H-H2O]+ 358.13624 181.3
[M+HCOO]- 420.13718 208.3
[M+CH3COO]- 434.15283 227.4
[M+Na-2H]- 396.11365 195.2
[M]+ 375.13843 193.3
[M]- 375.13953 193.3
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.