CID 3079619

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

Structural Information

Molecular Formula
C20H16N4O2S
SMILES
C1=CC=C(C=C1)C2(NC(=S)N2C3=CC=CC=C3)C4=C(C=CC(=C4)[N+](=O)[O-])N
InChI
InChI=1S/C20H16N4O2S/c21-18-12-11-16(24(25)26)13-17(18)20(14-7-3-1-4-8-14)22-19(27)23(20)15-9-5-2-6-10-15/h1-13H,21H2,(H,22,27)
InChIKey
YUIUNCADIJHJRH-UHFFFAOYSA-N
Compound name
4-(2-amino-5-nitrophenyl)-1,4-diphenyl-1,3-diazetidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.0994 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.10668 177.5
[M+Na]+ 399.08862 188.2
[M+NH4]+ 394.13322 182.2
[M+K]+ 415.06256 181.6
[M-H]- 375.09212 182.9
[M+Na-2H]- 397.07407 187.0
[M]+ 376.09885 179.9
[M]- 376.09995 179.9
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.