CID 69087

607-56-7

Structural Information

Molecular Formula
C21H16N2O
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)NC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C21H16N2O/c24-21(22-19-13-5-9-15-7-1-3-11-17(15)19)23-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H,(H2,22,23,24)
InChIKey
OAXACVUBJMHKTD-UHFFFAOYSA-N
Compound name
1,3-dinaphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

100
Patents

312.12625 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13353 169.8
[M+Na]+ 335.11547 177.1
[M-H]- 311.11897 178.1
[M+NH4]+ 330.16007 185.2
[M+K]+ 351.08941 170.7
[M+H-H2O]+ 295.12351 160.5
[M+HCOO]- 357.12445 193.9
[M+CH3COO]- 371.14010 181.0
[M+Na-2H]- 333.10092 179.8
[M]+ 312.12570 169.3
[M]- 312.12680 169.3
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