CID 370989

Nsc644795

Structural Information

Molecular Formula
C16H13N5O4S
SMILES
COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)NNC(=O)C3=CC=NC=C3
InChI
InChI=1S/C16H13N5O4S/c1-25-10-2-3-11-12(8-10)26-16(18-11)19-14(23)15(24)21-20-13(22)9-4-6-17-7-5-9/h2-8H,1H3,(H,20,22)(H,21,24)(H,18,19,23)
InChIKey
PWVHVLOLNSFNOD-UHFFFAOYSA-N
Compound name
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.06882 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.07610 180.7
[M+Na]+ 394.05804 187.5
[M-H]- 370.06154 186.7
[M+NH4]+ 389.10264 192.3
[M+K]+ 410.03198 184.0
[M+H-H2O]+ 354.06608 171.8
[M+HCOO]- 416.06702 200.2
[M+CH3COO]- 430.08267 217.4
[M+Na-2H]- 392.04349 185.1
[M]+ 371.06827 185.0
[M]- 371.06937 185.0
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.