CID 6482272

Schembl1780747

Structural Information

Molecular Formula
C21H32N2O
SMILES
COC1=CC=CC=C1CCNCCNC2C3CC4CC(C3)CC2C4
InChI
InChI=1S/C21H32N2O/c1-24-20-5-3-2-4-17(20)6-7-22-8-9-23-21-18-11-15-10-16(13-18)14-19(21)12-15/h2-5,15-16,18-19,21-23H,6-14H2,1H3
InChIKey
LMFCPOSLVHDFSZ-UHFFFAOYSA-N
Compound name
N'-(2-adamantyl)-N-[2-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

328.25146 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.25874 174.7
[M+Na]+ 351.24068 173.1
[M-H]- 327.24418 171.7
[M+NH4]+ 346.28528 192.8
[M+K]+ 367.21462 168.7
[M+H-H2O]+ 311.24872 166.2
[M+HCOO]- 373.24966 182.6
[M+CH3COO]- 387.26531 180.5
[M+Na-2H]- 349.22613 183.1
[M]+ 328.25091 174.9
[M]- 328.25201 174.9
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.