CID 303386

1-(naphthalen-1-yl)-3-(pyrimidin-2-yl)urea

Structural Information

Molecular Formula
C15H12N4O
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)NC3=NC=CC=N3
InChI
InChI=1S/C15H12N4O/c20-15(19-14-16-9-4-10-17-14)18-13-8-3-6-11-5-1-2-7-12(11)13/h1-10H,(H2,16,17,18,19,20)
InChIKey
VOCVZEIQEUOGEX-UHFFFAOYSA-N
Compound name
1-naphthalen-1-yl-3-pyrimidin-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

264.1011 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.10838 157.2
[M+Na]+ 287.09032 164.1
[M-H]- 263.09382 162.0
[M+NH4]+ 282.13492 170.9
[M+K]+ 303.06426 159.1
[M+H-H2O]+ 247.09836 147.3
[M+HCOO]- 309.09930 179.9
[M+CH3COO]- 323.11495 168.3
[M+Na-2H]- 285.07577 167.6
[M]+ 264.10055 155.4
[M]- 264.10165 155.4
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