CID 788563

26135-13-7

Structural Information

Molecular Formula
C18H13N3OS
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)NC3=NC4=CC=CC=C4S3
InChI
InChI=1S/C18H13N3OS/c22-17(21-18-20-15-9-3-4-11-16(15)23-18)19-14-10-5-7-12-6-1-2-8-13(12)14/h1-11H,(H2,19,20,21,22)
InChIKey
JKGUWXHDDVUFDQ-UHFFFAOYSA-N
Compound name
1-(1,3-benzothiazol-2-yl)-3-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.07794 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.08522 168.0
[M+Na]+ 342.06716 177.5
[M-H]- 318.07066 176.0
[M+NH4]+ 337.11176 184.9
[M+K]+ 358.04110 171.0
[M+H-H2O]+ 302.07520 160.3
[M+HCOO]- 364.07614 188.2
[M+CH3COO]- 378.09179 179.9
[M+Na-2H]- 340.05261 175.2
[M]+ 319.07739 171.0
[M]- 319.07849 171.0
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.