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 190.3
[M+Na]+ 444.15298 195.4
[M-H]- 420.15648 202.6
[M+NH4]+ 439.19758 197.9
[M+K]+ 460.12692 196.8
[M+H-H2O]+ 404.16102 184.9
[M+HCOO]- 466.16196 202.0
[M+CH3COO]- 480.17761 199.5
[M+Na-2H]- 442.13843 189.7
[M]+ 421.16321 194.0
[M]- 421.16431 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.