CID 2756611

55096-87-2

Structural Information

Molecular Formula
C16H18N2O
SMILES
CC(=O)NC1=CC=C(C=C1)CNCC2=CC=CC=C2
InChI
InChI=1S/C16H18N2O/c1-13(19)18-16-9-7-15(8-10-16)12-17-11-14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3,(H,18,19)
InChIKey
QOWJMYDBBXGGEM-UHFFFAOYSA-N
Compound name
N-[4-[(benzylamino)methyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

254.1419 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14918 159.1
[M+Na]+ 277.13112 164.1
[M-H]- 253.13462 165.4
[M+NH4]+ 272.17572 175.1
[M+K]+ 293.10506 160.1
[M+H-H2O]+ 237.13916 150.9
[M+HCOO]- 299.14010 184.3
[M+CH3COO]- 313.15575 200.4
[M+Na-2H]- 275.11657 165.0
[M]+ 254.14135 157.9
[M]- 254.14245 157.9
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