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 179.1
[M+Na]+ 345.19372 184.5
[M-H]- 321.19722 185.4
[M+NH4]+ 340.23832 190.6
[M+K]+ 361.16766 183.2
[M+H-H2O]+ 305.20176 169.6
[M+HCOO]- 367.20270 191.2
[M+CH3COO]- 381.21835 187.8
[M+Na-2H]- 343.17917 182.3
[M]+ 322.20395 173.8
[M]- 322.20505 173.8
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.