CID 16076457

N'-(1-adamantyl)-n-[(2-ethoxyphenyl)methyl]ethane-1,2-diamine

Structural Information

Molecular Formula
C21H32N2O
SMILES
CCOC1=CC=CC=C1CNCCNC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C21H32N2O/c1-2-24-20-6-4-3-5-19(20)15-22-7-8-23-21-12-16-9-17(13-21)11-18(10-16)14-21/h3-6,16-18,22-23H,2,7-15H2,1H3
InChIKey
PLGXONRTBSORHQ-UHFFFAOYSA-N
Compound name
N'-(1-adamantyl)-N-[(2-ethoxyphenyl)methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.25146 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.25874 175.1
[M+Na]+ 351.24068 174.0
[M-H]- 327.24418 172.1
[M+NH4]+ 346.28528 195.0
[M+K]+ 367.21462 169.4
[M+H-H2O]+ 311.24872 166.0
[M+HCOO]- 373.24966 183.0
[M+CH3COO]- 387.26531 181.1
[M+Na-2H]- 349.22613 185.0
[M]+ 328.25091 175.3
[M]- 328.25201 175.3
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.