CID 135408651

6623-78-5

Structural Information

Molecular Formula
C21H16N4OS
SMILES
C1=CC=C2C(=C1)C=C3C=CC=C(C3=N2)NC(=S)N/N=C/C4=CC=CC=C4O
InChI
InChI=1S/C21H16N4OS/c26-19-11-4-2-7-16(19)13-22-25-21(27)24-18-10-5-8-15-12-14-6-1-3-9-17(14)23-20(15)18/h1-13,26H,(H2,24,25,27)/b22-13+
InChIKey
JPBICJSUJBVKIM-LPYMAVHISA-N
Compound name
1-acridin-4-yl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1045 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.11178 181.2
[M+Na]+ 395.09372 189.2
[M-H]- 371.09722 188.2
[M+NH4]+ 390.13832 193.5
[M+K]+ 411.06766 181.3
[M+H-H2O]+ 355.10176 171.8
[M+HCOO]- 417.10270 200.3
[M+CH3COO]- 431.11835 191.0
[M+Na-2H]- 393.07917 190.1
[M]+ 372.10395 182.8
[M]- 372.10505 182.8
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

No patent data available for this compound.