CID 11624303

3-ethyl-1-[6-methoxy-5-(2-methoxypyrimidin-5-yl)-1h-1,3-benzodiazol-2-yl]urea

Structural Information

Molecular Formula
C16H18N6O3
SMILES
CCNC(=O)NC1=NC2=C(N1)C=C(C(=C2)OC)C3=CN=C(N=C3)OC
InChI
InChI=1S/C16H18N6O3/c1-4-17-15(23)22-14-20-11-5-10(13(24-2)6-12(11)21-14)9-7-18-16(25-3)19-8-9/h5-8H,4H2,1-3H3,(H3,17,20,21,22,23)
InChIKey
ADASGIIHCQJGMX-UHFFFAOYSA-N
Compound name
1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

6
Patents

342.14404 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15132 179.1
[M+Na]+ 365.13326 191.1
[M+NH4]+ 360.17786 183.5
[M+K]+ 381.10720 188.1
[M-H]- 341.13676 180.6
[M+Na-2H]- 363.11871 184.9
[M]+ 342.14349 180.9
[M]- 342.14459 180.9
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

patents stripe