CID 3067672

81816-73-1

Structural Information

Molecular Formula
C21H26N2O3
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)C3CCOC4=C3C=C(C=C4)OC
InChI
InChI=1S/C21H26N2O3/c1-24-17-5-3-16(4-6-17)22-10-12-23(13-11-22)20-9-14-26-21-8-7-18(25-2)15-19(20)21/h3-8,15,20H,9-14H2,1-2H3
InChIKey
MWAIVNBEUQMTQE-UHFFFAOYSA-N
Compound name
1-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-4-(4-methoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.19434 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.201616 187.4
[M+Na]+ 377.183558 191.8
[M-H]- 353.187064 194.3
[M+NH4]+ 372.228163 196.3
[M+K]+ 393.157498 188.3
[M+H-H2O]+ 337.191600 175.3
[M+HCOO]- 399.192541 199.8
[M+CH3COO]- 413.208191 195.6
[M+Na-2H]- 375.169006 189.4
[M]+ 354.19379142 184.7
[M]- 354.19488858 184.7
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.