CID 435297

742014-22-8

Structural Information

Molecular Formula
C19H16N2O2S
SMILES
CC1=C(C2=CC=CC=C2C3=C1SC(=N3)NC4=CC=C(C=C4)OC)O
InChI
InChI=1S/C19H16N2O2S/c1-11-17(22)15-6-4-3-5-14(15)16-18(11)24-19(21-16)20-12-7-9-13(23-2)10-8-12/h3-10,22H,1-2H3,(H,20,21)
InChIKey
SRCIGCVICVKNFT-UHFFFAOYSA-N
Compound name
2-(4-methoxyanilino)-4-methylbenzo[e][1,3]benzothiazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

336.09326 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.10054 175.2
[M+Na]+ 359.08248 186.8
[M-H]- 335.08598 182.7
[M+NH4]+ 354.12708 191.9
[M+K]+ 375.05642 180.2
[M+H-H2O]+ 319.09052 168.1
[M+HCOO]- 381.09146 193.4
[M+CH3COO]- 395.10711 187.3
[M+Na-2H]- 357.06793 179.6
[M]+ 336.09271 181.4
[M]- 336.09381 181.4
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

patents stripe