CID 563482

N-benzyl-o-phenetidine

Structural Information

Molecular Formula
C15H17NO
SMILES
CCOC1=CC=CC=C1NCC2=CC=CC=C2
InChI
InChI=1S/C15H17NO/c1-2-17-15-11-7-6-10-14(15)16-12-13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3
InChIKey
VCFBFZSSLLVLIS-UHFFFAOYSA-N
Compound name
N-benzyl-2-ethoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

227.13101 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.13829 151.3
[M+Na]+ 250.12023 157.5
[M-H]- 226.12373 157.7
[M+NH4]+ 245.16483 168.9
[M+K]+ 266.09417 153.8
[M+H-H2O]+ 210.12827 143.5
[M+HCOO]- 272.12921 176.6
[M+CH3COO]- 286.14486 193.1
[M+Na-2H]- 248.10568 158.5
[M]+ 227.13046 151.8
[M]- 227.13156 151.8
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

patents stripe