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]+ 228.138286 151.3
[M+Na]+ 250.120228 157.5
[M-H]- 226.123734 157.7
[M+NH4]+ 245.164833 168.9
[M+K]+ 266.094168 153.8
[M+H-H2O]+ 210.128270 143.5
[M+HCOO]- 272.129211 176.6
[M+CH3COO]- 286.144861 193.1
[M+Na-2H]- 248.105676 158.5
[M]+ 227.13046142 151.8
[M]- 227.13155858 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