CID 103681

Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-4'-(propylamino)methyl-, maleate

Structural Information

Molecular Formula
C20H23NO3
SMILES
CCCNCC1COC2(O1)C3=CC=CC=C3COC4=CC=CC=C24
InChI
InChI=1S/C20H23NO3/c1-2-11-21-12-16-14-23-20(24-16)17-8-4-3-7-15(17)13-22-19-10-6-5-9-18(19)20/h3-10,16,21H,2,11-14H2,1H3
InChIKey
LIVRQOHADOMSHA-UHFFFAOYSA-N
Compound name
N-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1678 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 175.2
[M+Na]+ 348.15702 181.0
[M-H]- 324.16052 185.0
[M+NH4]+ 343.20162 190.1
[M+K]+ 364.13096 182.0
[M+H-H2O]+ 308.16506 169.4
[M+HCOO]- 370.16600 191.8
[M+CH3COO]- 384.18165 185.9
[M+Na-2H]- 346.14247 182.0
[M]+ 325.16725 174.4
[M]- 325.16835 174.4
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.