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]+ 313.165906 172.4
[M+Na]+ 335.147848 174.9
[M-H]- 311.151354 176.7
[M+NH4]+ 330.192453 183.7
[M+K]+ 351.121788 171.1
[M+H-H2O]+ 295.155890 162.2
[M+HCOO]- 357.156831 196.4
[M+CH3COO]- 371.172481 211.6
[M+Na-2H]- 333.133296 178.2
[M]+ 312.15808142 170.9
[M]- 312.15917858 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.