CID 16076809

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

Structural Information

Molecular Formula
C22H33ClN2
SMILES
CC(C12CC3CC(C1)CC(C3)C2)NCCNCCC4=CC=CC=C4Cl
InChI
InChI=1S/C22H33ClN2/c1-16(22-13-17-10-18(14-22)12-19(11-17)15-22)25-9-8-24-7-6-20-4-2-3-5-21(20)23/h2-5,16-19,24-25H,6-15H2,1H3
InChIKey
AYJVIMVFXHLNKD-UHFFFAOYSA-N
Compound name
N'-[1-(1-adamantyl)ethyl]-N-[2-(2-chlorophenyl)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.23322 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.24050 186.5
[M+Na]+ 383.22244 185.7
[M-H]- 359.22594 183.1
[M+NH4]+ 378.26704 206.0
[M+K]+ 399.19638 179.3
[M+H-H2O]+ 343.23048 178.5
[M+HCOO]- 405.23142 188.6
[M+CH3COO]- 419.24707 191.5
[M+Na-2H]- 381.20789 193.6
[M]+ 360.23267 187.2
[M]- 360.23377 187.2
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.