CID 3071313

87673-20-9

Structural Information

Molecular Formula
C24H33NOS
SMILES
CCC1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCN(C(C)C)C(C)C
InChI
InChI=1S/C24H33NOS/c1-6-19-11-12-23-22(15-19)24(21-10-8-7-9-20(21)16-26-23)27-14-13-25(17(2)3)18(4)5/h7-12,15,17-18,24H,6,13-14,16H2,1-5H3
InChIKey
OADVONKFOKIBJN-UHFFFAOYSA-N
Compound name
N-[2-[(2-ethyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)sulfanyl]ethyl]-N-propan-2-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

383.22827 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.23555 194.4
[M+Na]+ 406.21749 204.6
[M+NH4]+ 401.26209 202.6
[M+K]+ 422.19143 196.1
[M-H]- 382.22099 199.8
[M+Na-2H]- 404.20294 198.1
[M]+ 383.22772 198.1
[M]- 383.22882 198.1
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

patents stripe