CID 297876

P 2027

Structural Information

Molecular Formula
C18H22N4O2
SMILES
CC(CC1=CC=CC=C1)NC(=O)CCNNC(=O)C2=CC=NC=C2
InChI
InChI=1S/C18H22N4O2/c1-14(13-15-5-3-2-4-6-15)21-17(23)9-12-20-22-18(24)16-7-10-19-11-8-16/h2-8,10-11,14,20H,9,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKey
FWCDNFDSSSIPPN-UHFFFAOYSA-N
Compound name
N-(1-phenylpropan-2-yl)-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3
Patents

326.1743 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.18158 179.4
[M+Na]+ 349.16352 188.3
[M+NH4]+ 344.20812 184.7
[M+K]+ 365.13746 182.5
[M-H]- 325.16702 182.9
[M+Na-2H]- 347.14897 186.3
[M]+ 326.17375 181.2
[M]- 326.17485 181.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe