CID 213140

8-methyl-10-(4-ethylpiperazino)-10,11-dihydrodibenz(b,f)oxepin maleate

Structural Information

Molecular Formula
C21H26N2O
SMILES
CCN1CCN(CC1)C2CC3=CC=CC=C3OC4=C2C=C(C=C4)C
InChI
InChI=1S/C21H26N2O/c1-3-22-10-12-23(13-11-22)19-15-17-6-4-5-7-20(17)24-21-9-8-16(2)14-18(19)21/h4-9,14,19H,3,10-13,15H2,1-2H3
InChIKey
DBMTXKKKGXPSMA-UHFFFAOYSA-N
Compound name
1-ethyl-4-(3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2045 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.21178 183.3
[M+Na]+ 345.19372 196.4
[M+NH4]+ 340.23832 191.6
[M+K]+ 361.16766 188.7
[M-H]- 321.19722 189.2
[M+Na-2H]- 343.17917 188.6
[M]+ 322.20395 187.1
[M]- 322.20505 187.1
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

No patent data available for this compound.