CID 10248159

Ddec-benzylamine

Structural Information

Molecular Formula
C24H29NO2
SMILES
CC1(CC2=C(O1)C(=CC=C2)OCCNCC3=CC(=CC=C3)C4=CCCC4)C
InChI
InChI=1S/C24H29NO2/c1-24(2)16-21-11-6-12-22(23(21)27-24)26-14-13-25-17-18-7-5-10-20(15-18)19-8-3-4-9-19/h5-8,10-12,15,25H,3-4,9,13-14,16-17H2,1-2H3
InChIKey
RAIDOKRWKAIHOH-UHFFFAOYSA-N
Compound name
N-[[3-(cyclopenten-1-yl)phenyl]methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

25
Patents

363.21982 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.22710 189.4
[M+Na]+ 386.20904 195.0
[M-H]- 362.21254 200.3
[M+NH4]+ 381.25364 206.6
[M+K]+ 402.18298 190.5
[M+H-H2O]+ 346.21708 181.6
[M+HCOO]- 408.21802 210.7
[M+CH3COO]- 422.23367 200.0
[M+Na-2H]- 384.19449 190.1
[M]+ 363.21927 191.0
[M]- 363.22037 191.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe