CID 435295

81466-82-2

Structural Information

Molecular Formula
C15H14N2OS
SMILES
CC1=C(C2=CC=CC=C2C3=C1SC(=N3)NCC=C)O
InChI
InChI=1S/C15H14N2OS/c1-3-8-16-15-17-12-10-6-4-5-7-11(10)13(18)9(2)14(12)19-15/h3-7,18H,1,8H2,2H3,(H,16,17)
InChIKey
FGAOTPNMMQVQMS-UHFFFAOYSA-N
Compound name
4-methyl-2-(prop-2-enylamino)benzo[e][1,3]benzothiazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

270.08267 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08995 158.3
[M+Na]+ 293.07189 170.0
[M-H]- 269.07539 162.3
[M+NH4]+ 288.11649 177.9
[M+K]+ 309.04583 163.3
[M+H-H2O]+ 253.07993 152.5
[M+HCOO]- 315.08087 176.4
[M+CH3COO]- 329.09652 171.1
[M+Na-2H]- 291.05734 162.7
[M]+ 270.08212 163.1
[M]- 270.08322 163.1
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.