CID 300946

Nsc176659

Structural Information

Molecular Formula
C20H22N4O4
SMILES
COC1=C(C=C2C(=C1)NC(=N2)CCC3=NC4=CC(=C(C=C4N3)OC)OC)OC
InChI
InChI=1S/C20H22N4O4/c1-25-15-7-11-12(8-16(15)26-2)22-19(21-11)5-6-20-23-13-9-17(27-3)18(28-4)10-14(13)24-20/h7-10H,5-6H2,1-4H3,(H,21,22)(H,23,24)
InChIKey
OMUNAGZLLHKPOT-UHFFFAOYSA-N
Compound name
2-[2-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethyl]-5,6-dimethoxy-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.1641 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.17138 190.8
[M+Na]+ 405.15332 202.6
[M-H]- 381.15682 194.0
[M+NH4]+ 400.19792 202.2
[M+K]+ 421.12726 196.7
[M+H-H2O]+ 365.16136 181.7
[M+HCOO]- 427.16230 209.2
[M+CH3COO]- 441.17795 201.0
[M+Na-2H]- 403.13877 192.5
[M]+ 382.16355 200.2
[M]- 382.16465 200.2
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.