CID 58458

101491-78-5

Structural Information

Molecular Formula
C21H28N2O2
SMILES
CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)NC(=O)OCCN(C)C
InChI
InChI=1S/C21H28N2O2/c1-4-15-21(18-11-7-5-8-12-18,19-13-9-6-10-14-19)22-20(24)25-17-16-23(2)3/h5-14H,4,15-17H2,1-3H3,(H,22,24)
InChIKey
MFIGUJSUGHQLRL-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-(1,1-diphenylbutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.2151 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.222376 185.5
[M+Na]+ 363.204318 187.8
[M-H]- 339.207824 192.2
[M+NH4]+ 358.248923 198.3
[M+K]+ 379.178258 185.2
[M+H-H2O]+ 323.212360 176.2
[M+HCOO]- 385.213301 208.0
[M+CH3COO]- 399.228951 219.3
[M+Na-2H]- 361.189766 189.4
[M]+ 340.21455142 187.6
[M]- 340.21564858 187.6
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.