CID 25597

P 1391

Structural Information

Molecular Formula
C13H20N4O2
SMILES
CCCCNC(=O)CCNNC(=O)C1=CC=NC=C1
InChI
InChI=1S/C13H20N4O2/c1-2-3-7-15-12(18)6-10-16-17-13(19)11-4-8-14-9-5-11/h4-5,8-9,16H,2-3,6-7,10H2,1H3,(H,15,18)(H,17,19)
InChIKey
AGWAZCATCLVBGW-UHFFFAOYSA-N
Compound name
N-butyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

264.15863 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.165906 162.2
[M+Na]+ 287.147848 165.2
[M-H]- 263.151354 163.5
[M+NH4]+ 282.192453 176.0
[M+K]+ 303.121788 163.1
[M+H-H2O]+ 247.155890 153.3
[M+HCOO]- 309.156831 186.0
[M+CH3COO]- 323.172481 203.8
[M+Na-2H]- 285.133296 167.0
[M]+ 264.15808142 161.7
[M]- 264.15917858 161.7
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

patents stripe