CID 383897

Nsc672808

Structural Information

Molecular Formula
C15H16FN3O2
SMILES
CC(C1=CC(=C(C=C1)OC)F)NNC(=O)C2=CC=NC=C2
InChI
InChI=1S/C15H16FN3O2/c1-10(12-3-4-14(21-2)13(16)9-12)18-19-15(20)11-5-7-17-8-6-11/h3-10,18H,1-2H3,(H,19,20)
InChIKey
PRCAKEJOOZHBJD-UHFFFAOYSA-N
Compound name
N'-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.12265 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.12993 165.3
[M+Na]+ 312.11187 171.3
[M-H]- 288.11537 169.4
[M+NH4]+ 307.15647 178.6
[M+K]+ 328.08581 168.0
[M+H-H2O]+ 272.11991 155.3
[M+HCOO]- 334.12085 187.7
[M+CH3COO]- 348.13650 206.9
[M+Na-2H]- 310.09732 169.4
[M]+ 289.12210 164.4
[M]- 289.12320 164.4
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

No patent data available for this compound.