CID 121316

Brn 0841611

Structural Information

Molecular Formula
C19H21ClN2O2
SMILES
C1CN(CCN1CC2COC3=CC=CC=C3O2)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H21ClN2O2/c20-15-5-7-16(8-6-15)22-11-9-21(10-12-22)13-17-14-23-18-3-1-2-4-19(18)24-17/h1-8,17H,9-14H2
InChIKey
NNHVEJLXLGNXSU-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.12915 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13643 182.7
[M+Na]+ 367.11837 188.3
[M-H]- 343.12187 189.9
[M+NH4]+ 362.16297 191.5
[M+K]+ 383.09231 184.2
[M+H-H2O]+ 327.12641 171.3
[M+HCOO]- 389.12735 190.1
[M+CH3COO]- 403.14300 191.2
[M+Na-2H]- 365.10382 186.2
[M]+ 344.12860 180.5
[M]- 344.12970 180.5
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.