CID 331252

115682-09-2

Structural Information

Molecular Formula
C17H21N3O2
SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)C4=CC=NC=C4
InChI
InChI=1S/C17H21N3O2/c21-15(14-1-3-18-4-2-14)19-20-16(22)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,21)(H,20,22)
InChIKey
VXKCGGYPMLXZKG-UHFFFAOYSA-N
Compound name
N'-(adamantane-1-carbonyl)pyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

299.1634 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.170676 162.7
[M+Na]+ 322.152618 162.4
[M-H]- 298.156124 158.9
[M+NH4]+ 317.197223 182.1
[M+K]+ 338.126558 159.4
[M+H-H2O]+ 282.160660 153.9
[M+HCOO]- 344.161601 169.4
[M+CH3COO]- 358.177251 169.2
[M+Na-2H]- 320.138066 173.8
[M]+ 299.16285142 160.8
[M]- 299.16394858 160.8
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.