CID 115007

157622-55-4

Structural Information

Molecular Formula
C18H27NO
SMILES
CCCN(CCC)C1CCC2=CC3=C(C=C2C1)OCC3
InChI
InChI=1S/C18H27NO/c1-3-8-19(9-4-2)17-6-5-14-11-15-7-10-20-18(15)13-16(14)12-17/h11,13,17H,3-10,12H2,1-2H3
InChIKey
IJICKINLCUKIHY-UHFFFAOYSA-N
Compound name
N,N-dipropyl-2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

2
Patents

273.20926 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.21654 167.8
[M+Na]+ 296.19848 172.1
[M-H]- 272.20198 173.6
[M+NH4]+ 291.24308 187.0
[M+K]+ 312.17242 169.8
[M+H-H2O]+ 256.20652 160.8
[M+HCOO]- 318.20746 186.1
[M+CH3COO]- 332.22311 206.9
[M+Na-2H]- 294.18393 170.5
[M]+ 273.20871 167.9
[M]- 273.20981 167.9
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