CID 401164

Nsc714328

Structural Information

Molecular Formula
C18H22ClN3O2
SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)NN
InChI
InChI=1S/C18H22ClN3O2/c19-13-1-2-15(14(6-13)16(23)22-20)21-17(24)18-7-10-3-11(8-18)5-12(4-10)9-18/h1-2,6,10-12H,3-5,7-9,20H2,(H,21,24)(H,22,23)
InChIKey
RYRSWANLNKLGDO-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-(hydrazinecarbonyl)phenyl]adamantane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.14005 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.14733 175.6
[M+Na]+ 370.12927 176.9
[M-H]- 346.13277 172.8
[M+NH4]+ 365.17387 195.3
[M+K]+ 386.10321 172.5
[M+H-H2O]+ 330.13731 169.6
[M+HCOO]- 392.13825 179.2
[M+CH3COO]- 406.15390 181.9
[M+Na-2H]- 368.11472 183.9
[M]+ 347.13950 175.3
[M]- 347.14060 175.3
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.