CID 15942655

[2'-hydroxy-3'-(1h-pyrrolo[3,2-c]pyridin-2-yl)-biphenyl-3-ylmethyl]-urea

Structural Information

Molecular Formula
C21H18N4O2
SMILES
C1=CC(=CC(=C1)C2=C(C(=CC=C2)C3=CC4=C(N3)C=CN=C4)O)CNC(=O)N
InChI
InChI=1S/C21H18N4O2/c22-21(27)24-11-13-3-1-4-14(9-13)16-5-2-6-17(20(16)26)19-10-15-12-23-8-7-18(15)25-19/h1-10,12,25-26H,11H2,(H3,22,24,27)
InChIKey
SRPOHNDQBDHONJ-UHFFFAOYSA-N
Compound name
[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.14297 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.15025 182.6
[M+Na]+ 381.13219 190.3
[M-H]- 357.13569 188.8
[M+NH4]+ 376.17679 192.9
[M+K]+ 397.10613 182.7
[M+H-H2O]+ 341.14023 172.8
[M+HCOO]- 403.14117 203.2
[M+CH3COO]- 417.15682 192.0
[M+Na-2H]- 379.11764 186.4
[M]+ 358.14242 180.8
[M]- 358.14352 180.8
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

No patent data available for this compound.