CID 979285

474881-20-4

Structural Information

Molecular Formula
C19H18N2O4S
SMILES
COC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCO4)CCO
InChI
InChI=1S/C19H18N2O4S/c1-23-15-5-3-14(4-6-15)20-19-21(8-9-22)16(11-26-19)13-2-7-17-18(10-13)25-12-24-17/h2-7,10-11,22H,8-9,12H2,1H3
InChIKey
PGURRHLUWAVVNG-UHFFFAOYSA-N
Compound name
2-[4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.09872 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.10600 184.2
[M+Na]+ 393.08794 193.9
[M-H]- 369.09144 196.3
[M+NH4]+ 388.13254 197.8
[M+K]+ 409.06188 191.6
[M+H-H2O]+ 353.09598 177.8
[M+HCOO]- 415.09692 202.8
[M+CH3COO]- 429.11257 196.3
[M+Na-2H]- 391.07339 185.3
[M]+ 370.09817 191.7
[M]- 370.09927 191.7
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.