CID 6280071

Nsc297614

Structural Information

Molecular Formula
C15H13N3O2S
SMILES
CS1(=N/C(=N\C(=O)NC2=CC=CC=C2)/C3=CC=CC=C31)=O
InChI
InChI=1S/C15H13N3O2S/c1-21(20)13-10-6-5-9-12(13)14(18-21)17-15(19)16-11-7-3-2-4-8-11/h2-10H,1H3,(H,16,19)/b17-14-
InChIKey
RFKLUZDLXGHEBA-VKAVYKQESA-N
Compound name
(1Z)-1-(1-methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.07285 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08013 165.2
[M+Na]+ 322.06207 175.3
[M-H]- 298.06557 173.8
[M+NH4]+ 317.10667 184.7
[M+K]+ 338.03601 170.6
[M+H-H2O]+ 282.07011 157.8
[M+HCOO]- 344.07105 187.1
[M+CH3COO]- 358.08670 178.1
[M+Na-2H]- 320.04752 171.1
[M]+ 299.07230 168.8
[M]- 299.07340 168.8
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.