CID 80765

6373-93-9

Structural Information

Molecular Formula
C18H20N4O3S
SMILES
COC1=CC2=C(C=C1)N=C(S2)N=NC3=CC=C(C=C3)N(CCO)CCO
InChI
InChI=1S/C18H20N4O3S/c1-25-15-6-7-16-17(12-15)26-18(19-16)21-20-13-2-4-14(5-3-13)22(8-10-23)9-11-24/h2-7,12,23-24H,8-11H2,1H3
InChIKey
SJZTZHPYEJPQME-UHFFFAOYSA-N
Compound name
2-[N-(2-hydroxyethyl)-4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

372.1256 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.13288 185.2
[M+Na]+ 395.11482 196.3
[M+NH4]+ 390.15942 192.3
[M+K]+ 411.08876 189.3
[M-H]- 371.11832 190.3
[M+Na-2H]- 393.10027 192.6
[M]+ 372.12505 188.5
[M]- 372.12615 188.5
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