CID 213140

Piperazine, 1-(10,11-dihydro-8-methyldibenz(b,f)oxepin-10-yl)-4-ethyl-, maleate (1:1)

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]+ 323.211776 179.1
[M+Na]+ 345.193718 184.5
[M-H]- 321.197224 185.4
[M+NH4]+ 340.238323 190.6
[M+K]+ 361.167658 183.2
[M+H-H2O]+ 305.201760 169.6
[M+HCOO]- 367.202701 191.2
[M+CH3COO]- 381.218351 187.8
[M+Na-2H]- 343.179166 182.3
[M]+ 322.20395142 173.8
[M]- 322.20504858 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.