CID 6480553

N'-(2-adamantyl)-n-phenyl-ethane-1,2-diamine

Structural Information

Molecular Formula
C18H26N2
SMILES
C1C2CC3CC1CC(C2)C3NCCNC4=CC=CC=C4
InChI
InChI=1S/C18H26N2/c1-2-4-17(5-3-1)19-6-7-20-18-15-9-13-8-14(11-15)12-16(18)10-13/h1-5,13-16,18-20H,6-12H2
InChIKey
YOYUPJIKXSORJK-UHFFFAOYSA-N
Compound name
N-(2-adamantyl)-N'-phenylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.2096 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.21688 156.6
[M+Na]+ 293.19882 155.8
[M-H]- 269.20232 154.2
[M+NH4]+ 288.24342 177.0
[M+K]+ 309.17276 151.3
[M+H-H2O]+ 253.20686 148.7
[M+HCOO]- 315.20780 165.7
[M+CH3COO]- 329.22345 163.8
[M+Na-2H]- 291.18427 167.3
[M]+ 270.20905 154.3
[M]- 270.21015 154.3
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.