CID 253936

Nsc77477

Structural Information

Molecular Formula
C10H13N3OS
SMILES
COC1=CC(=C2C(=C1)SC=N2)NCCN
InChI
InChI=1S/C10H13N3OS/c1-14-7-4-8(12-3-2-11)10-9(5-7)15-6-13-10/h4-6,12H,2-3,11H2,1H3
InChIKey
GMAUOUDBPQWTDE-UHFFFAOYSA-N
Compound name
N'-(6-methoxy-1,3-benzothiazol-4-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.07793 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08521 144.1
[M+Na]+ 246.06715 154.1
[M-H]- 222.07065 147.8
[M+NH4]+ 241.11175 164.3
[M+K]+ 262.04109 150.1
[M+H-H2O]+ 206.07519 137.6
[M+HCOO]- 268.07613 165.7
[M+CH3COO]- 282.09178 191.3
[M+Na-2H]- 244.05260 149.2
[M]+ 223.07738 148.1
[M]- 223.07848 148.1
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.