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 193.3
[M+Na]+ 406.21749 195.9
[M-H]- 382.22099 200.2
[M+NH4]+ 401.26209 206.0
[M+K]+ 422.19143 197.5
[M+H-H2O]+ 366.22553 187.1
[M+HCOO]- 428.22647 204.4
[M+CH3COO]- 442.24212 229.3
[M+Na-2H]- 404.20294 192.5
[M]+ 383.22772 195.7
[M]- 383.22882 195.7
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