CID 3010006

(1s,2s)-1,2-bis(7-methoxy-1h-benzimidazol-2-yl)ethane-1,2-diol

Structural Information

Molecular Formula
C18H18N4O4
SMILES
COC1=CC=CC2=C1N=C(N2)[C@@H]([C@H](C3=NC4=C(N3)C=CC=C4OC)O)O
InChI
InChI=1S/C18H18N4O4/c1-25-11-7-3-5-9-13(11)21-17(19-9)15(23)16(24)18-20-10-6-4-8-12(26-2)14(10)22-18/h3-8,15-16,23-24H,1-2H3,(H,19,21)(H,20,22)/t15-,16-/m1/s1
InChIKey
GJBDXZXTCNMSKS-HZPDHXFCSA-N
Compound name
(1S,2S)-1,2-bis(4-methoxy-1H-benzimidazol-2-yl)ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.1328 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14008 179.6
[M+Na]+ 377.12202 189.0
[M-H]- 353.12552 180.2
[M+NH4]+ 372.16662 190.1
[M+K]+ 393.09596 183.3
[M+H-H2O]+ 337.13006 171.5
[M+HCOO]- 399.13100 193.9
[M+CH3COO]- 413.14665 188.7
[M+Na-2H]- 375.10747 181.3
[M]+ 354.13225 183.1
[M]- 354.13335 183.1
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.