CID 120120805

N-[(adamantan-2-yl)methyl]-n''-(pyridin-2-yl)guanidine; trifluoroacetic acid

Structural Information

Molecular Formula
C17H24N4
SMILES
C1C2CC3CC1CC(C2)C3CN=C(N)NC4=CC=CC=N4
InChI
InChI=1S/C17H24N4/c18-17(21-16-3-1-2-4-19-16)20-10-15-13-6-11-5-12(8-13)9-14(15)7-11/h1-4,11-15H,5-10H2,(H3,18,19,20,21)
InChIKey
BVQHPKFTXBEQJD-UHFFFAOYSA-N
Compound name
2-(2-adamantylmethyl)-1-pyridin-2-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.2001 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.20738 158.4
[M+Na]+ 307.18932 157.7
[M-H]- 283.19282 155.4
[M+NH4]+ 302.23392 177.0
[M+K]+ 323.16326 154.2
[M+H-H2O]+ 267.19736 149.7
[M+HCOO]- 329.19830 167.6
[M+CH3COO]- 343.21395 165.2
[M+Na-2H]- 305.17477 168.9
[M]+ 284.19955 155.3
[M]- 284.20065 155.3
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.