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]+ 265.16591 162.2
[M+Na]+ 287.14785 165.2
[M-H]- 263.15135 163.5
[M+NH4]+ 282.19245 176.0
[M+K]+ 303.12179 163.1
[M+H-H2O]+ 247.15589 153.3
[M+HCOO]- 309.15683 186.0
[M+CH3COO]- 323.17248 203.8
[M+Na-2H]- 285.13330 167.0
[M]+ 264.15808 161.7
[M]- 264.15918 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