CID 16076528

N'-(1-adamantyl)-n-[2-(2,5-dimethoxyphenyl)ethyl]ethane-1,2-diamine

Structural Information

Molecular Formula
C22H34N2O2
SMILES
COC1=CC(=C(C=C1)OC)CCNCCNC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C22H34N2O2/c1-25-20-3-4-21(26-2)19(12-20)5-6-23-7-8-24-22-13-16-9-17(14-22)11-18(10-16)15-22/h3-4,12,16-18,23-24H,5-11,13-15H2,1-2H3
InChIKey
PQWLXQKEVBLVTL-UHFFFAOYSA-N
Compound name
N'-(1-adamantyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.26202 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.26930 183.6
[M+Na]+ 381.25124 182.6
[M-H]- 357.25474 180.6
[M+NH4]+ 376.29584 202.4
[M+K]+ 397.22518 178.6
[M+H-H2O]+ 341.25928 174.4
[M+HCOO]- 403.26022 191.0
[M+CH3COO]- 417.27587 189.2
[M+Na-2H]- 379.23669 192.5
[M]+ 358.26147 185.8
[M]- 358.26257 185.8
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.