CID 23225

6779-74-4

Structural Information

Molecular Formula
C26H31NO2
SMILES
CC(C)C(CCCN(C)C)(C1=CC=CC2=CC=CC=C21)C(=O)OC3=CC=CC=C3
InChI
InChI=1S/C26H31NO2/c1-20(2)26(18-11-19-27(3)4,25(28)29-22-14-6-5-7-15-22)24-17-10-13-21-12-8-9-16-23(21)24/h5-10,12-17,20H,11,18-19H2,1-4H3
InChIKey
AGVHDVFMSLCYIE-UHFFFAOYSA-N
Compound name
phenyl 5-(dimethylamino)-2-naphthalen-1-yl-2-propan-2-ylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.23547 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.24275 199.5
[M+Na]+ 412.22469 202.2
[M-H]- 388.22819 206.8
[M+NH4]+ 407.26929 211.4
[M+K]+ 428.19863 198.5
[M+H-H2O]+ 372.23273 189.8
[M+HCOO]- 434.23367 217.8
[M+CH3COO]- 448.24932 229.3
[M+Na-2H]- 410.21014 201.6
[M]+ 389.23492 202.4
[M]- 389.23602 202.4
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.