CID 15956147

1-(1-adamantyl)-3-benzyl-guanidine

Structural Information

Molecular Formula
C18H25N3
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=NCC4=CC=CC=C4)N
InChI
InChI=1S/C18H25N3/c19-17(20-12-13-4-2-1-3-5-13)21-18-9-14-6-15(10-18)8-16(7-14)11-18/h1-5,14-16H,6-12H2,(H3,19,20,21)
InChIKey
BAJDNIDGYRZWJZ-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-2-benzylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

43
Patents

283.20483 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.21211 159.8
[M+Na]+ 306.19405 159.2
[M-H]- 282.19755 158.0
[M+NH4]+ 301.23865 181.5
[M+K]+ 322.16799 155.2
[M+H-H2O]+ 266.20209 151.3
[M+HCOO]- 328.20303 169.8
[M+CH3COO]- 342.21868 167.0
[M+Na-2H]- 304.17950 170.9
[M]+ 283.20428 156.4
[M]- 283.20538 156.4
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

patents stripe