CID 165360391

Dtxsid601338335

Structural Information

Molecular Formula
C23H21N3O2
SMILES
CN1C(N(C2=CC=CC=C21)CC3=CC=CC=C3)C4=NC5=C(O4)C=C(C=C5)OC
InChI
InChI=1S/C23H21N3O2/c1-25-19-10-6-7-11-20(19)26(15-16-8-4-3-5-9-16)23(25)22-24-18-13-12-17(27-2)14-21(18)28-22/h3-14,23H,15H2,1-2H3
InChIKey
MVEFDMFUHRFDCG-UHFFFAOYSA-N
Compound name
2-(1-benzyl-3-methyl-2H-benzimidazol-2-yl)-6-methoxy-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.1634 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.170676 189.8
[M+Na]+ 394.152618 200.6
[M-H]- 370.156124 199.4
[M+NH4]+ 389.197223 202.2
[M+K]+ 410.126558 194.9
[M+H-H2O]+ 354.160660 179.6
[M+HCOO]- 416.161601 208.7
[M+CH3COO]- 430.177251 200.8
[M+Na-2H]- 392.138066 191.1
[M]+ 371.16285142 195.1
[M]- 371.16394858 195.1
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.