CID 16076453

N'-(1-adamantyl)-n-[(2,4-dimethoxyphenyl)methyl]ethane-1,2-diamine

Structural Information

Molecular Formula
C21H32N2O2
SMILES
COC1=CC(=C(C=C1)CNCCNC23CC4CC(C2)CC(C4)C3)OC
InChI
InChI=1S/C21H32N2O2/c1-24-19-4-3-18(20(10-19)25-2)14-22-5-6-23-21-11-15-7-16(12-21)9-17(8-15)13-21/h3-4,10,15-17,22-23H,5-9,11-14H2,1-2H3
InChIKey
DSDIBSFDFZNZMK-UHFFFAOYSA-N
Compound name
N'-(1-adamantyl)-N-[(2,4-dimethoxyphenyl)methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.24637 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.25365 179.2
[M+Na]+ 367.23559 178.7
[M-H]- 343.23909 176.4
[M+NH4]+ 362.28019 198.7
[M+K]+ 383.20953 174.9
[M+H-H2O]+ 327.24363 170.2
[M+HCOO]- 389.24457 187.1
[M+CH3COO]- 403.26022 185.2
[M+Na-2H]- 365.22104 188.7
[M]+ 344.24582 181.2
[M]- 344.24692 181.2
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.