CID 64443

63382-17-2

Structural Information

Molecular Formula
C26H31NO2
SMILES
CN(C)C1C2CC3CC1CC(C3)(C2)OC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C26H31NO2/c1-27(2)24-21-13-18-14-22(24)17-26(15-18,16-21)29-25(28)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21-24H,13-17H2,1-2H3
InChIKey
HXYCLZCFMFFDOM-UHFFFAOYSA-N
Compound name
[4-(dimethylamino)-1-adamantyl] 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.23547 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.24275 191.5
[M+Na]+ 412.22469 189.1
[M-H]- 388.22819 192.3
[M+NH4]+ 407.26929 208.5
[M+K]+ 428.19863 185.5
[M+H-H2O]+ 372.23273 180.0
[M+HCOO]- 434.23367 196.3
[M+CH3COO]- 448.24932 196.4
[M+Na-2H]- 410.21014 197.0
[M]+ 389.23492 191.2
[M]- 389.23602 191.2
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.