CID 126769

Sb 200646 hydrochloride

Structural Information

Molecular Formula
C15H14N4O
SMILES
CN1C=CC2=C1C=CC(=C2)NC(=O)NC3=CN=CC=C3
InChI
InChI=1S/C15H14N4O/c1-19-8-6-11-9-12(4-5-14(11)19)17-15(20)18-13-3-2-7-16-10-13/h2-10H,1H3,(H2,17,18,20)
InChIKey
OJZZJTLBYXHUSJ-UHFFFAOYSA-N
Compound name
1-(1-methylindol-5-yl)-3-pyridin-3-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

29
References

156
Patents

266.11676 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12404 159.8
[M+Na]+ 289.10598 173.4
[M+NH4]+ 284.15058 167.6
[M+K]+ 305.07992 168.0
[M-H]- 265.10948 164.3
[M+Na-2H]- 287.09143 168.8
[M]+ 266.11621 162.9
[M]- 266.11731 162.9
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