CID 9578637

((2-methyl-3-benzofuranyl)methylene)hydrazide 1-pyrrolidineacetic acid hydrochloride

Structural Information

Molecular Formula
C16H19N3O2
SMILES
CC1=C(C2=CC=CC=C2O1)/C=N/NC(=O)CN3CCCC3
InChI
InChI=1S/C16H19N3O2/c1-12-14(13-6-2-3-7-15(13)21-12)10-17-18-16(20)11-19-8-4-5-9-19/h2-3,6-7,10H,4-5,8-9,11H2,1H3,(H,18,20)/b17-10+
InChIKey
OQZYFOOARLVSMA-LICLKQGHSA-N
Compound name
N-[(E)-(2-methyl-1-benzofuran-3-yl)methylideneamino]-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.14774 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.15502 165.7
[M+Na]+ 308.13696 172.4
[M-H]- 284.14046 174.2
[M+NH4]+ 303.18156 183.4
[M+K]+ 324.11090 170.0
[M+H-H2O]+ 268.14500 157.9
[M+HCOO]- 330.14594 190.5
[M+CH3COO]- 344.16159 205.4
[M+Na-2H]- 306.12241 169.0
[M]+ 285.14719 167.5
[M]- 285.14829 167.5
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.