CID 27395

P 1234

Structural Information

Molecular Formula
C17H20N4O2
SMILES
C1=CC=C(C=C1)CCNC(=O)CCNNC(=O)C2=CC=NC=C2
InChI
InChI=1S/C17H20N4O2/c22-16(19-12-6-14-4-2-1-3-5-14)9-13-20-21-17(23)15-7-10-18-11-8-15/h1-5,7-8,10-11,20H,6,9,12-13H2,(H,19,22)(H,21,23)
InChIKey
QXBMEGUKVLFJAM-UHFFFAOYSA-N
Compound name
N-(2-phenylethyl)-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.15863 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.16591 172.4
[M+Na]+ 335.14785 174.9
[M-H]- 311.15135 176.7
[M+NH4]+ 330.19245 183.7
[M+K]+ 351.12179 171.1
[M+H-H2O]+ 295.15589 162.2
[M+HCOO]- 357.15683 196.4
[M+CH3COO]- 371.17248 211.6
[M+Na-2H]- 333.13330 178.2
[M]+ 312.15808 170.9
[M]- 312.15918 170.9
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.