CID 64610

Brn 4261848

Structural Information

Molecular Formula
C17H21BrN2O
SMILES
CN(C(=O)C1=CC(=CN=C1)Br)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C17H21BrN2O/c1-20(16(21)14-5-15(18)10-19-9-14)17-6-11-2-12(7-17)4-13(3-11)8-17/h5,9-13H,2-4,6-8H2,1H3
InChIKey
RBIGPVVIBVAWJV-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-5-bromo-N-methylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.08374 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.09102 174.1
[M+Na]+ 371.07296 177.8
[M-H]- 347.07646 174.5
[M+NH4]+ 366.11756 195.9
[M+K]+ 387.04690 168.4
[M+H-H2O]+ 331.08100 171.4
[M+HCOO]- 393.08194 179.1
[M+CH3COO]- 407.09759 182.8
[M+Na-2H]- 369.05841 183.3
[M]+ 348.08319 191.5
[M]- 348.08429 191.5
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

No patent data available for this compound.