CID 3571292

882080-57-1

Structural Information

Molecular Formula
C21H16Cl2N2O2S
SMILES
C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C21H16Cl2N2O2S/c22-18-10-7-16(11-19(18)23)25-21(27)13-28-17-8-5-15(6-9-17)24-12-14-3-1-2-4-20(14)26/h1-12,26H,13H2,(H,25,27)
InChIKey
YRLPMOBYRKLMQQ-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

430.03094 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.03822 197.0
[M+Na]+ 453.02016 205.1
[M-H]- 429.02366 206.1
[M+NH4]+ 448.06476 208.1
[M+K]+ 468.99410 196.4
[M+H-H2O]+ 413.02820 189.4
[M+HCOO]- 475.02914 207.5
[M+CH3COO]- 489.04479 206.2
[M+Na-2H]- 451.00561 197.5
[M]+ 430.03039 202.8
[M]- 430.03149 202.8
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