CID 5122210

13256-89-8

Structural Information

Molecular Formula
C17H13N3O3
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H13N3O3/c21-17(18-13-7-4-8-14(11-13)20(22)23)19-16-10-3-6-12-5-1-2-9-15(12)16/h1-11H,(H2,18,19,21)
InChIKey
ZDQAVEJQTQHPRN-UHFFFAOYSA-N
Compound name
1-naphthalen-1-yl-3-(3-nitrophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.0957 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.10298 167.6
[M+Na]+ 330.08492 181.7
[M+NH4]+ 325.12952 175.8
[M+K]+ 346.05886 176.6
[M-H]- 306.08842 174.8
[M+Na-2H]- 328.07037 176.7
[M]+ 307.09515 171.5
[M]- 307.09625 171.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.