CID 6151122

Nsc166685

Structural Information

Molecular Formula
C20H20N4O4
SMILES
COC1=C(C=C2C(=C1)NC(=N2)/C=C/C3=NC4=CC(=C(C=C4N3)OC)OC)OC
InChI
InChI=1S/C20H20N4O4/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/h5-10H,1-4H3,(H,21,22)(H,23,24)/b6-5+
InChIKey
PNFJISPKWAEKPV-AATRIKPKSA-N
Compound name
2-[(E)-2-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethenyl]-5,6-dimethoxy-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.14847 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.15575 190.6
[M+Na]+ 403.13769 202.7
[M-H]- 379.14119 193.8
[M+NH4]+ 398.18229 202.0
[M+K]+ 419.11163 196.2
[M+H-H2O]+ 363.14573 181.5
[M+HCOO]- 425.14667 209.1
[M+CH3COO]- 439.16232 200.9
[M+Na-2H]- 401.12314 192.2
[M]+ 380.14792 199.2
[M]- 380.14902 199.2
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.