CID 481579

N-[4-bromo-2-(hydrazinecarbonyl)phenyl]adamantane-1-carboxamide

Structural Information

Molecular Formula
C18H22BrN3O2
SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)NN
InChI
InChI=1S/C18H22BrN3O2/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
GCUTYVJMNPHOHP-UHFFFAOYSA-N
Compound name
N-[4-bromo-2-(hydrazinecarbonyl)phenyl]adamantane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.08954 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.09682 180.2
[M+Na]+ 414.07876 182.4
[M-H]- 390.08226 179.6
[M+NH4]+ 409.12336 199.9
[M+K]+ 430.05270 172.1
[M+H-H2O]+ 374.08680 177.9
[M+HCOO]- 436.08774 185.8
[M+CH3COO]- 450.10339 187.4
[M+Na-2H]- 412.06421 188.7
[M]+ 391.08899 194.8
[M]- 391.09009 194.8
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.