CID 16076516

N'-(2-adamantyl)-n-[2-(2-thienyl)ethyl]ethane-1,2-diamine

Structural Information

Molecular Formula
C18H28N2S
SMILES
C1C2CC3CC1CC(C2)C3NCCNCCC4=CC=CS4
InChI
InChI=1S/C18H28N2S/c1-2-17(21-7-1)3-4-19-5-6-20-18-15-9-13-8-14(11-15)12-16(18)10-13/h1-2,7,13-16,18-20H,3-6,8-12H2
InChIKey
WMFKNDWEDOJCIS-UHFFFAOYSA-N
Compound name
N'-(2-adamantyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.19733 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.20461 161.8
[M+Na]+ 327.18655 161.5
[M-H]- 303.19005 159.0
[M+NH4]+ 322.23115 183.6
[M+K]+ 343.16049 157.4
[M+H-H2O]+ 287.19459 156.3
[M+HCOO]- 349.19553 167.3
[M+CH3COO]- 363.21118 169.0
[M+Na-2H]- 325.17200 169.2
[M]+ 304.19678 163.8
[M]- 304.19788 163.8
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.