CID 2738961

Maybridge4_003973

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CC1=C(C(=C2C(=C1C)NC(=N2)C3=CC4=C(C=C3)OCO4)C)C
InChI
InChI=1S/C18H18N2O2/c1-9-10(2)12(4)17-16(11(9)3)19-18(20-17)13-5-6-14-15(7-13)22-8-21-14/h5-7H,8H2,1-4H3,(H,19,20)
InChIKey
SMSWZQWPPPWQOA-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-4,5,6,7-tetramethyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

294.13684 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.144116 170.0
[M+Na]+ 317.126058 182.7
[M-H]- 293.129564 177.8
[M+NH4]+ 312.170663 186.2
[M+K]+ 333.099998 178.8
[M+H-H2O]+ 277.134100 163.6
[M+HCOO]- 339.135041 188.4
[M+CH3COO]- 353.150691 183.0
[M+Na-2H]- 315.111506 171.8
[M]+ 294.13629142 175.4
[M]- 294.13738858 175.4
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.