CID 13490007

95878-54-9

Structural Information

Molecular Formula
C23H23N3O5
SMILES
C1COC(C2=C1NC=N2)CN(CC3=CC4=C(C=C3)OCO4)CC5=CC6=C(C=C5)OCO6
InChI
InChI=1S/C23H23N3O5/c1-3-18-20(30-13-28-18)7-15(1)9-26(10-16-2-4-19-21(8-16)31-14-29-19)11-22-23-17(5-6-27-22)24-12-25-23/h1-4,7-8,12,22H,5-6,9-11,13-14H2,(H,24,25)
InChIKey
BHNYGXOUOKZOGB-UHFFFAOYSA-N
Compound name
N,N-bis(1,3-benzodioxol-5-ylmethyl)-1-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.16376 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.171036 190.3
[M+Na]+ 444.152978 195.4
[M-H]- 420.156484 202.6
[M+NH4]+ 439.197583 197.9
[M+K]+ 460.126918 196.8
[M+H-H2O]+ 404.161020 184.9
[M+HCOO]- 466.161961 202.0
[M+CH3COO]- 480.177611 199.5
[M+Na-2H]- 442.138426 189.7
[M]+ 421.16321142 194.0
[M]- 421.16430858 194.0
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.