CID 27494

P 1250

Structural Information

Molecular Formula
C17H20N4O2
SMILES
CC1=CC=CC=C1CNC(=O)CCNNC(=O)C2=CC=NC=C2
InChI
InChI=1S/C17H20N4O2/c1-13-4-2-3-5-15(13)12-19-16(22)8-11-20-21-17(23)14-6-9-18-10-7-14/h2-7,9-10,20H,8,11-12H2,1H3,(H,19,22)(H,21,23)
InChIKey
XAOMXCXVTGEQEG-UHFFFAOYSA-N
Compound name
N-[(2-methylphenyl)methyl]-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

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.16591 173.3
[M+Na]+ 335.14785 176.8
[M-H]- 311.15135 178.1
[M+NH4]+ 330.19245 185.0
[M+K]+ 351.12179 173.1
[M+H-H2O]+ 295.15589 163.4
[M+HCOO]- 357.15683 197.3
[M+CH3COO]- 371.17248 212.9
[M+Na-2H]- 333.13330 178.3
[M]+ 312.15808 172.2
[M]- 312.15918 172.2
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.