CID 135410942

3-chloro-n-[(e)-(4-hydroxyphenyl)methyleneamino]-5-phenoxy-benzothiophene-2-carboxamide

Structural Information

Molecular Formula
C22H15ClN2O3S
SMILES
C1=CC=C(C=C1)OC2=CC3=C(C=C2)SC(=C3Cl)C(=O)N/N=C/C4=CC=C(C=C4)O
InChI
InChI=1S/C22H15ClN2O3S/c23-20-18-12-17(28-16-4-2-1-3-5-16)10-11-19(18)29-21(20)22(27)25-24-13-14-6-8-15(26)9-7-14/h1-13,26H,(H,25,27)/b24-13+
InChIKey
NDCBQFLTSGYZPI-ZMOGYAJESA-N
Compound name
3-chloro-N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-phenoxy-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.0492 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.05648 197.4
[M+Na]+ 445.03842 207.0
[M-H]- 421.04192 209.0
[M+NH4]+ 440.08302 211.1
[M+K]+ 461.01236 199.6
[M+H-H2O]+ 405.04646 189.7
[M+HCOO]- 467.04740 214.8
[M+CH3COO]- 481.06305 208.2
[M+Na-2H]- 443.02387 199.9
[M]+ 422.04865 204.9
[M]- 422.04975 204.9
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.