CID 3061300

Brn 4702700

Structural Information

Molecular Formula
C13H11N3O2S
SMILES
C1C(=NC2=CC=CC=C2O1)NNC(=O)C3=CC=CS3
InChI
InChI=1S/C13H11N3O2S/c17-13(11-6-3-7-19-11)16-15-12-8-18-10-5-2-1-4-9(10)14-12/h1-7H,8H2,(H,14,15)(H,16,17)
InChIKey
QHPPQBLSAIVLIX-UHFFFAOYSA-N
Compound name
N'-(2H-1,4-benzoxazin-3-yl)thiophene-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0572 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.064476 156.7
[M+Na]+ 296.046418 164.2
[M-H]- 272.049924 164.0
[M+NH4]+ 291.091023 173.0
[M+K]+ 312.020358 161.2
[M+H-H2O]+ 256.054460 149.4
[M+HCOO]- 318.055401 175.4
[M+CH3COO]- 332.071051 168.7
[M+Na-2H]- 294.031866 162.5
[M]+ 273.05665142 157.7
[M]- 273.05774858 157.7
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.