CID 104137

Einecs 257-793-3

Structural Information

Molecular Formula
C16H18N2O2
SMILES
CC(=O)NC1=CC(=C(C=C1)OC)NCC2=CC=CC=C2
InChI
InChI=1S/C16H18N2O2/c1-12(19)18-14-8-9-16(20-2)15(10-14)17-11-13-6-4-3-5-7-13/h3-10,17H,11H2,1-2H3,(H,18,19)
InChIKey
YVYKCBBUIXNBDT-UHFFFAOYSA-N
Compound name
N-[3-(benzylamino)-4-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

270.13684 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14412 162.5
[M+Na]+ 293.12606 168.2
[M-H]- 269.12956 169.1
[M+NH4]+ 288.17066 178.1
[M+K]+ 309.10000 164.9
[M+H-H2O]+ 253.13410 154.1
[M+HCOO]- 315.13504 187.8
[M+CH3COO]- 329.15069 203.7
[M+Na-2H]- 291.11151 167.6
[M]+ 270.13629 163.0
[M]- 270.13739 163.0
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