CID 101232

N-butyl-2,2-diphenylacetamide

Structural Information

Molecular Formula
C18H21NO
SMILES
CCCCNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C18H21NO/c1-2-3-14-19-18(20)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3,(H,19,20)
InChIKey
DWTFZCMKNAQOCN-UHFFFAOYSA-N
Compound name
N-butyl-2,2-diphenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

267.16232 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.169596 165.4
[M+Na]+ 290.151538 169.1
[M-H]- 266.155044 171.0
[M+NH4]+ 285.196143 180.8
[M+K]+ 306.125478 165.1
[M+H-H2O]+ 250.159580 157.1
[M+HCOO]- 312.160521 187.9
[M+CH3COO]- 326.176171 201.1
[M+Na-2H]- 288.136986 169.2
[M]+ 267.16177142 164.5
[M]- 267.16286858 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe