CID 99886

47660-35-5

Structural Information

Molecular Formula
C22H23N3O4S
SMILES
CC(=C)C(=O)OCCOC1=C(C=C(C=C1)C=NN=C2N(C3=CC=CC=C3S2)C)OC
InChI
InChI=1S/C22H23N3O4S/c1-15(2)21(26)29-12-11-28-18-10-9-16(13-19(18)27-4)14-23-24-22-25(3)17-7-5-6-8-20(17)30-22/h5-10,13-14H,1,11-12H2,2-4H3
InChIKey
RNPYQIUMSQHJTO-UHFFFAOYSA-N
Compound name
2-[2-methoxy-4-[[(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenoxy]ethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

425.14093 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.14821 201.3
[M+Na]+ 448.13015 213.0
[M+NH4]+ 443.17475 207.0
[M+K]+ 464.10409 205.5
[M-H]- 424.13365 205.1
[M+Na-2H]- 446.11560 207.2
[M]+ 425.14038 204.3
[M]- 425.14148 204.3
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