CID 9578635

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

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]+ 288.20705 171.2
[M+Na]+ 310.18899 177.2
[M-H]- 286.19249 177.9
[M+NH4]+ 305.23359 188.0
[M+K]+ 326.16293 173.7
[M+H-H2O]+ 270.19703 162.9
[M+HCOO]- 332.19797 194.4
[M+CH3COO]- 346.21362 211.3
[M+Na-2H]- 308.17444 170.6
[M]+ 287.19922 171.1
[M]- 287.20032 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.