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]+ 431.26930 209.4
[M+Na]+ 453.25124 209.0
[M-H]- 429.25474 218.2
[M+NH4]+ 448.29584 217.5
[M+K]+ 469.22518 205.7
[M+H-H2O]+ 413.25928 198.3
[M+HCOO]- 475.26022 228.6
[M+CH3COO]- 489.27587 237.4
[M+Na-2H]- 451.23669 210.1
[M]+ 430.26147 209.9
[M]- 430.26257 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.