CID 25599

P 1261

Structural Information

Molecular Formula
C17H20N4O2
SMILES
CC1=CC=C(C=C1)CNC(=O)CCNNC(=O)C2=CC=NC=C2
InChI
InChI=1S/C17H20N4O2/c1-13-2-4-14(5-3-13)12-19-16(22)8-11-20-21-17(23)15-6-9-18-10-7-15/h2-7,9-10,20H,8,11-12H2,1H3,(H,19,22)(H,21,23)
InChIKey
GPIDAZFHWYYNTC-UHFFFAOYSA-N
Compound name
N-[(4-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]+ 313.165906 173.3
[M+Na]+ 335.147848 176.8
[M-H]- 311.151354 178.1
[M+NH4]+ 330.192453 185.0
[M+K]+ 351.121788 173.1
[M+H-H2O]+ 295.155890 163.4
[M+HCOO]- 357.156831 197.3
[M+CH3COO]- 371.172481 212.9
[M+Na-2H]- 333.133296 178.3
[M]+ 312.15808142 172.2
[M]- 312.15917858 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.