CID 64609

2-(5-bromonicotinoylamino)adamantane

Structural Information

Molecular Formula
C16H19BrN2O
SMILES
C1C2CC3CC1CC(C2)C3NC(=O)C4=CC(=CN=C4)Br
InChI
InChI=1S/C16H19BrN2O/c17-14-6-13(7-18-8-14)16(20)19-15-11-2-9-1-10(4-11)5-12(15)3-9/h6-12,15H,1-5H2,(H,19,20)
InChIKey
LAKYMYXZQIAIDK-UHFFFAOYSA-N
Compound name
N-(2-adamantyl)-5-bromopyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

334.06808 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.07536 169.5
[M+Na]+ 357.05730 173.4
[M-H]- 333.06080 169.0
[M+NH4]+ 352.10190 189.7
[M+K]+ 373.03124 163.1
[M+H-H2O]+ 317.06534 167.6
[M+HCOO]- 379.06628 174.6
[M+CH3COO]- 393.08193 178.1
[M+Na-2H]- 355.04275 178.7
[M]+ 334.06753 185.7
[M]- 334.06863 185.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe