CID 3049928

65363-07-7

Structural Information

Molecular Formula
C26H23NO3
SMILES
CC1=CC=C(C=C1)C(C2CC2)C(=O)OC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4
InChI
InChI=1S/C26H23NO3/c1-18-10-12-19(13-11-18)25(20-14-15-20)26(28)30-24(17-27)21-6-5-9-23(16-21)29-22-7-3-2-4-8-22/h2-13,16,20,24-25H,14-15H2,1H3
InChIKey
DQUAINAKZWEGFN-UHFFFAOYSA-N
Compound name
[cyano-(3-phenoxyphenyl)methyl] 2-cyclopropyl-2-(4-methylphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.1678 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.17508 193.5
[M+Na]+ 420.15702 205.8
[M-H]- 396.16052 204.4
[M+NH4]+ 415.20162 199.7
[M+K]+ 436.13096 195.7
[M+H-H2O]+ 380.16506 180.4
[M+HCOO]- 442.16600 211.8
[M+CH3COO]- 456.18165 231.7
[M+Na-2H]- 418.14247 194.4
[M]+ 397.16725 193.0
[M]- 397.16835 193.0
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.