CID 64349

Acetamidine, n-(3-(1-adamantyl)propyl)-2-mercapto-, hydrochloride

Structural Information

Molecular Formula
C15H26N2S
SMILES
C1C2CC3CC1CC(C2)(C3)CCCN=C(CS)N
InChI
InChI=1S/C15H26N2S/c16-14(10-18)17-3-1-2-15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13,18H,1-10H2,(H2,16,17)
InChIKey
WWDZZHKCSFNFNK-UHFFFAOYSA-N
Compound name
N'-[3-(1-adamantyl)propyl]-2-sulfanylethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.18167 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18895 159.9
[M+Na]+ 289.17089 166.3
[M+NH4]+ 284.21549 172.7
[M+K]+ 305.14483 154.8
[M-H]- 265.17439 159.1
[M+Na-2H]- 287.15634 157.3
[M]+ 266.18112 161.0
[M]- 266.18222 161.0
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.