CID 3009998

(1r)-1,2-bis(5-methoxy-1h-benzimidazol-2-yl)ethanol

Structural Information

Molecular Formula
C18H18N4O3
SMILES
COC1=CC2=C(C=C1)N=C(N2)C[C@H](C3=NC4=C(N3)C=C(C=C4)OC)O
InChI
InChI=1S/C18H18N4O3/c1-24-10-3-5-12-14(7-10)20-17(19-12)9-16(23)18-21-13-6-4-11(25-2)8-15(13)22-18/h3-8,16,23H,9H2,1-2H3,(H,19,20)(H,21,22)/t16-/m1/s1
InChIKey
VRBLTTLGDQBHMN-MRXNPFEDSA-N
Compound name
(1R)-1,2-bis(6-methoxy-1H-benzimidazol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.13788 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.14516 177.5
[M+Na]+ 361.12710 188.1
[M-H]- 337.13060 179.2
[M+NH4]+ 356.17170 189.5
[M+K]+ 377.10104 181.6
[M+H-H2O]+ 321.13514 168.9
[M+HCOO]- 383.13608 194.2
[M+CH3COO]- 397.15173 187.5
[M+Na-2H]- 359.11255 180.3
[M]+ 338.13733 181.9
[M]- 338.13843 181.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.