CID 3079613

N-(2-hydroxy-2-(4-(2-phenylethyl)phenyl)ethyl)formamide

Structural Information

Molecular Formula
C17H19NO2
SMILES
C1=CC=C(C=C1)CCC2=CC=C(C=C2)C(CNC=O)O
InChI
InChI=1S/C17H19NO2/c19-13-18-12-17(20)16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11,13,17,20H,6-7,12H2,(H,18,19)
InChIKey
NCWHWZKSLQZLFH-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-2-[4-(2-phenylethyl)phenyl]ethyl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.14157 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14885 163.3
[M+Na]+ 292.13079 168.1
[M-H]- 268.13429 168.0
[M+NH4]+ 287.17539 178.2
[M+K]+ 308.10473 163.5
[M+H-H2O]+ 252.13883 155.2
[M+HCOO]- 314.13977 185.8
[M+CH3COO]- 328.15542 198.6
[M+Na-2H]- 290.11624 167.7
[M]+ 269.14102 162.7
[M]- 269.14212 162.7
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.