CID 64351

Nsc 193467

Structural Information

Molecular Formula
C15H26N2S
SMILES
CC12CC3CC(C1)(CC(C3)(C2)CN=C(CS)N)C
InChI
InChI=1S/C15H26N2S/c1-13-3-11-4-14(2,7-13)9-15(5-11,8-13)10-17-12(16)6-18/h11,18H,3-10H2,1-2H3,(H2,16,17)
InChIKey
FYHWBKXCPOZIBZ-UHFFFAOYSA-N
Compound name
N'-[(3,5-dimethyl-1-adamantyl)methyl]-2-sulfanylethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.18167 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18895 162.0
[M+Na]+ 289.17089 163.9
[M-H]- 265.17439 156.7
[M+NH4]+ 284.21549 189.2
[M+K]+ 305.14483 160.9
[M+H-H2O]+ 249.17893 155.8
[M+HCOO]- 311.17987 164.9
[M+CH3COO]- 325.19552 169.5
[M+Na-2H]- 287.15634 172.4
[M]+ 266.18112 164.2
[M]- 266.18222 164.2
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.