CID 67089584

K9wbe24py7

Structural Information

Molecular Formula
C20H24N4O3
SMILES
CCOC1=CC=C(C=C1)CC2=NC3=C(N2CCN(C)C)C=CC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H24N4O3/c1-4-27-17-8-5-15(6-9-17)13-20-21-18-14-16(24(25)26)7-10-19(18)23(20)12-11-22(2)3/h5-10,14H,4,11-13H2,1-3H3
InChIKey
MYLQWWDDZNZULX-UHFFFAOYSA-N
Compound name
2-[2-[(4-ethoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

368.18484 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.19212 188.9
[M+Na]+ 391.17406 195.4
[M-H]- 367.17756 195.7
[M+NH4]+ 386.21866 200.9
[M+K]+ 407.14800 187.5
[M+H-H2O]+ 351.18210 183.0
[M+HCOO]- 413.18304 213.0
[M+CH3COO]- 427.19869 218.8
[M+Na-2H]- 389.15951 194.0
[M]+ 368.18429 193.7
[M]- 368.18539 193.7
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.