CID 6900726

325995-47-9

Structural Information

Molecular Formula
C20H21N3O3S
SMILES
CCOC1=CC=C(C=C1)C2=CSC(=N2)N/N=C/C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C20H21N3O3S/c1-4-26-16-8-6-15(7-9-16)17-13-27-20(22-17)23-21-12-14-5-10-18(24-2)19(11-14)25-3/h5-13H,4H2,1-3H3,(H,22,23)/b21-12+
InChIKey
NIHLCNUDXCHTOH-CIAFOILYSA-N
Compound name
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-ethoxyphenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.13037 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.13765 189.9
[M+Na]+ 406.11959 197.7
[M-H]- 382.12309 200.3
[M+NH4]+ 401.16419 202.8
[M+K]+ 422.09353 192.9
[M+H-H2O]+ 366.12763 180.0
[M+HCOO]- 428.12857 212.4
[M+CH3COO]- 442.14422 223.5
[M+Na-2H]- 404.10504 191.0
[M]+ 383.12982 197.4
[M]- 383.13092 197.4
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

No patent data available for this compound.