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]+ 422.17104 196.1
[M+Na]+ 444.15298 207.9
[M+NH4]+ 439.19758 203.2
[M+K]+ 460.12692 208.9
[M-H]- 420.15648 207.1
[M+Na-2H]- 442.13843 197.0
[M]+ 421.16321 200.9
[M]- 421.16431 200.9
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.