CID 3079611

(z)-((2-amino-5-chlorophenyl)phenylmethylene)phenylthiourea

Structural Information

Molecular Formula
C20H16ClN3S
SMILES
C1=CC=C(C=C1)C2(NC(=S)N2C3=CC=CC=C3)C4=C(C=CC(=C4)Cl)N
InChI
InChI=1S/C20H16ClN3S/c21-15-11-12-18(22)17(13-15)20(14-7-3-1-4-8-14)23-19(25)24(20)16-9-5-2-6-10-16/h1-13H,22H2,(H,23,25)
InChIKey
DCMLHBMPTMSGCT-UHFFFAOYSA-N
Compound name
4-(2-amino-5-chlorophenyl)-1,4-diphenyl-1,3-diazetidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.07535 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.08263 179.4
[M+Na]+ 388.06457 187.7
[M-H]- 364.06807 186.9
[M+NH4]+ 383.10917 184.9
[M+K]+ 404.03851 181.1
[M+H-H2O]+ 348.07261 164.3
[M+HCOO]- 410.07355 188.4
[M+CH3COO]- 424.08920 188.2
[M+Na-2H]- 386.05002 180.8
[M]+ 365.07480 186.7
[M]- 365.07590 186.7
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.