CID 6435181

N-(alpha-methylphenethyl)glycine 2-(2-benzofuranylmethylene)hydrazide hydrochloride

Structural Information

Molecular Formula
C20H21N3O2
SMILES
CC(CN/C(=C/C1=CC2=CC=CC=C2O1)/C(=O)NN)C3=CC=CC=C3
InChI
InChI=1S/C20H21N3O2/c1-14(15-7-3-2-4-8-15)13-22-18(20(24)23-21)12-17-11-16-9-5-6-10-19(16)25-17/h2-12,14,22H,13,21H2,1H3,(H,23,24)/b18-12+
InChIKey
HCCDXHQWYCEVEM-LDADJPATSA-N
Compound name
(E)-3-(1-benzofuran-2-yl)-2-(2-phenylpropylamino)prop-2-enehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1634 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17068 181.3
[M+Na]+ 358.15262 185.5
[M-H]- 334.15612 188.8
[M+NH4]+ 353.19722 194.6
[M+K]+ 374.12656 181.9
[M+H-H2O]+ 318.16066 172.7
[M+HCOO]- 380.16160 204.8
[M+CH3COO]- 394.17725 216.9
[M+Na-2H]- 356.13807 184.5
[M]+ 335.16285 180.8
[M]- 335.16395 180.8
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

No patent data available for this compound.