CID 37815

37683-61-7

Structural Information

Molecular Formula
C21H23ClN2O
SMILES
CN(C)CCCN1C2=C(C=C(C=C2)Cl)C3=C1C4=CC=CC=C4OCC3
InChI
InChI=1S/C21H23ClN2O/c1-23(2)11-5-12-24-19-9-8-15(22)14-18(19)16-10-13-25-20-7-4-3-6-17(20)21(16)24/h3-4,6-9,14H,5,10-13H2,1-2H3
InChIKey
KWHOQRKFVBSHRI-UHFFFAOYSA-N
Compound name
3-(9-chloro-6,7-dihydro-[1]benzoxepino[5,4-b]indol-12-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1499 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.15718 185.1
[M+Na]+ 377.13912 195.2
[M-H]- 353.14262 193.3
[M+NH4]+ 372.18372 201.6
[M+K]+ 393.11306 193.1
[M+H-H2O]+ 337.14716 178.4
[M+HCOO]- 399.14810 200.6
[M+CH3COO]- 413.16375 196.4
[M+Na-2H]- 375.12457 189.5
[M]+ 354.14935 189.6
[M]- 354.15045 189.6
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.