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 183.1
[M+Na]+ 395.11482 190.6
[M-H]- 371.11832 191.3
[M+NH4]+ 390.15942 197.2
[M+K]+ 411.08876 186.7
[M+H-H2O]+ 355.12286 174.0
[M+HCOO]- 417.12380 206.1
[M+CH3COO]- 431.13945 223.9
[M+Na-2H]- 393.10027 187.8
[M]+ 372.12505 191.2
[M]- 372.12615 191.2
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