CID 9578635

1-pyrrolidineacetic acid, ((2,3,5,6-tetramethylphenyl)methylene)hydrazide, monohydrochloride

Structural Information

Molecular Formula
C17H25N3O
SMILES
CC1=CC(=C(C(=C1C)/C=N/NC(=O)CN2CCCC2)C)C
InChI
InChI=1S/C17H25N3O/c1-12-9-13(2)15(4)16(14(12)3)10-18-19-17(21)11-20-7-5-6-8-20/h9-10H,5-8,11H2,1-4H3,(H,19,21)/b18-10+
InChIKey
AROWOCSPTUXCQZ-VCHYOVAHSA-N
Compound name
2-pyrrolidin-1-yl-N-[(E)-(2,3,5,6-tetramethylphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.19977 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.207046 171.2
[M+Na]+ 310.188988 177.2
[M-H]- 286.192494 177.9
[M+NH4]+ 305.233593 188.0
[M+K]+ 326.162928 173.7
[M+H-H2O]+ 270.197030 162.9
[M+HCOO]- 332.197971 194.4
[M+CH3COO]- 346.213621 211.3
[M+Na-2H]- 308.174436 170.6
[M]+ 287.19922142 171.1
[M]- 287.20031858 171.1
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.