CID 9578637

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

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]+ 286.155016 165.7
[M+Na]+ 308.136958 172.4
[M-H]- 284.140464 174.2
[M+NH4]+ 303.181563 183.4
[M+K]+ 324.110898 170.0
[M+H-H2O]+ 268.145000 157.9
[M+HCOO]- 330.145941 190.5
[M+CH3COO]- 344.161591 205.4
[M+Na-2H]- 306.122406 169.0
[M]+ 285.14719142 167.5
[M]- 285.14828858 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.