CID 218394

40536-29-6

Structural Information

Molecular Formula
C23H26N2O2
SMILES
CN1CCN(CC1)CC2COC3(O2)C4=CC=CC=C4C=CC5=CC=CC=C35
InChI
InChI=1S/C23H26N2O2/c1-24-12-14-25(15-13-24)16-20-17-26-23(27-20)21-8-4-2-6-18(21)10-11-19-7-3-5-9-22(19)23/h2-11,20H,12-17H2,1H3
InChIKey
MBUIJTBWPQHJFQ-UHFFFAOYSA-N
Compound name
1-methyl-4-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-ylmethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.19943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.20671 188.4
[M+Na]+ 385.18865 194.2
[M-H]- 361.19215 197.4
[M+NH4]+ 380.23325 200.3
[M+K]+ 401.16259 192.3
[M+H-H2O]+ 345.19669 178.2
[M+HCOO]- 407.19763 199.7
[M+CH3COO]- 421.21328 196.9
[M+Na-2H]- 383.17410 190.6
[M]+ 362.19888 183.0
[M]- 362.19998 183.0
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.