CID 49520

Carbanilic acid, (4-(dimethylamino)-2,2-diphenyl-1-ethyl)pentyl ester, hydrochloride, hydrate

Structural Information

Molecular Formula
C28H34N2O2
SMILES
CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C28H34N2O2/c1-5-26(32-27(31)29-25-19-13-8-14-20-25)28(21-22(2)30(3)4,23-15-9-6-10-16-23)24-17-11-7-12-18-24/h6-20,22,26H,5,21H2,1-4H3,(H,29,31)
InChIKey
RTFUQXYEDFGUDE-UHFFFAOYSA-N
Compound name
[6-(dimethylamino)-4,4-diphenylheptan-3-yl] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.26202 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.269296 209.4
[M+Na]+ 453.251238 209.0
[M-H]- 429.254744 218.2
[M+NH4]+ 448.295843 217.5
[M+K]+ 469.225178 205.7
[M+H-H2O]+ 413.259280 198.3
[M+HCOO]- 475.260221 228.6
[M+CH3COO]- 489.275871 237.4
[M+Na-2H]- 451.236686 210.1
[M]+ 430.26147142 209.9
[M]- 430.26256858 209.9
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.