CID 4585883

62871-36-7

Structural Information

Molecular Formula
C18H19BrN2O
SMILES
CCCCCOC1=C(C=C(C=C1)Br)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C18H19BrN2O/c1-2-3-6-11-22-17-10-9-13(19)12-14(17)18-20-15-7-4-5-8-16(15)21-18/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,20,21)
InChIKey
SVXFZNKSGBPALU-UHFFFAOYSA-N
Compound name
2-(5-bromo-2-pentoxyphenyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.06808 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.07536 178.2
[M+Na]+ 381.05730 190.2
[M-H]- 357.06080 184.7
[M+NH4]+ 376.10190 194.7
[M+K]+ 397.03124 176.6
[M+H-H2O]+ 341.06534 176.3
[M+HCOO]- 403.06628 197.0
[M+CH3COO]- 417.08193 190.9
[M+Na-2H]- 379.04275 183.4
[M]+ 358.06753 199.8
[M]- 358.06863 199.8
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.