CID 27388

P 1390

Structural Information

Molecular Formula
C12H18N4O2
SMILES
CCCNC(=O)CCNNC(=O)C1=CC=NC=C1
InChI
InChI=1S/C12H18N4O2/c1-2-6-14-11(17)5-9-15-16-12(18)10-3-7-13-8-4-10/h3-4,7-8,15H,2,5-6,9H2,1H3,(H,14,17)(H,16,18)
InChIKey
IWHYRFYSOIKFSE-UHFFFAOYSA-N
Compound name
N-propyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

250.14297 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15025 157.7
[M+Na]+ 273.13219 161.2
[M-H]- 249.13569 159.3
[M+NH4]+ 268.17679 172.2
[M+K]+ 289.10613 159.3
[M+H-H2O]+ 233.14023 149.1
[M+HCOO]- 295.14117 182.0
[M+CH3COO]- 309.15682 200.8
[M+Na-2H]- 271.11764 163.1
[M]+ 250.14242 156.9
[M]- 250.14352 156.9
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

patents stripe