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]+ 328.07503 172.3
[M+Na]+ 350.05697 180.5
[M-H]- 326.06047 179.5
[M+NH4]+ 345.10157 187.7
[M+K]+ 366.03091 176.2
[M+H-H2O]+ 310.06501 164.4
[M+HCOO]- 372.06595 192.7
[M+CH3COO]- 386.08160 208.2
[M+Na-2H]- 348.04242 176.2
[M]+ 327.06720 176.9
[M]- 327.06830 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.