CID 5937877

Nsc641847

Structural Information

Molecular Formula
C19H23N4O2
SMILES
C/C(=N\NC(=O)C[N+]1=CC=CC=C1)/CC(=O)NCCC2=CC=CC=C2
InChI
InChI=1S/C19H22N4O2/c1-16(21-22-19(25)15-23-12-6-3-7-13-23)14-18(24)20-11-10-17-8-4-2-5-9-17/h2-9,12-13H,10-11,14-15H2,1H3,(H-,20,22,24,25)/p+1/b21-16+
InChIKey
IREBQDMZWZHFGE-LTGZKZEYSA-O
Compound name
(3E)-N-(2-phenylethyl)-3-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1821 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.18938 182.9
[M+Na]+ 362.17132 184.7
[M-H]- 338.17482 188.5
[M+NH4]+ 357.21592 193.4
[M+K]+ 378.14526 175.7
[M+H-H2O]+ 322.17936 175.0
[M+HCOO]- 384.18030 206.4
[M+CH3COO]- 398.19595 211.8
[M+Na-2H]- 360.15677 189.0
[M]+ 339.18155 181.1
[M]- 339.18265 181.1
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.