CID 16226734

2-[(1,3-benzothiazol-2-yl)amino]propanehydrazide

Structural Information

Molecular Formula
C10H12N4OS
SMILES
CC(C(=O)NN)NC1=NC2=CC=CC=C2S1
InChI
InChI=1S/C10H12N4OS/c1-6(9(15)14-11)12-10-13-7-4-2-3-5-8(7)16-10/h2-6H,11H2,1H3,(H,12,13)(H,14,15)
InChIKey
WYZLLODOOQMZBX-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-ylamino)propanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

236.07318 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.080456 147.8
[M+Na]+ 259.062398 155.5
[M-H]- 235.065904 151.2
[M+NH4]+ 254.107003 166.5
[M+K]+ 275.036338 152.0
[M+H-H2O]+ 219.070440 140.8
[M+HCOO]- 281.071381 168.3
[M+CH3COO]- 295.087031 195.6
[M+Na-2H]- 257.047846 152.2
[M]+ 236.07263142 148.7
[M]- 236.07372858 148.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.