CID 374722

Nsc652914

Structural Information

Molecular Formula
C16H13N3O3S
SMILES
COC1=CC=C(C=C1)C(=O)NNC(=O)C2=NSC3=CC=CC=C32
InChI
InChI=1S/C16H13N3O3S/c1-22-11-8-6-10(7-9-11)15(20)17-18-16(21)14-12-4-2-3-5-13(12)23-19-14/h2-9H,1H3,(H,17,20)(H,18,21)
InChIKey
XDCMEVCWKVEGSZ-UHFFFAOYSA-N
Compound name
N'-(4-methoxybenzoyl)-1,2-benzothiazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.06775 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.075026 172.3
[M+Na]+ 350.056968 180.5
[M-H]- 326.060474 179.5
[M+NH4]+ 345.101573 187.7
[M+K]+ 366.030908 176.2
[M+H-H2O]+ 310.065010 164.4
[M+HCOO]- 372.065951 192.7
[M+CH3COO]- 386.081601 208.2
[M+Na-2H]- 348.042416 176.2
[M]+ 327.06720142 176.9
[M]- 327.06829858 176.9
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.