CID 3079610

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

Structural Information

Molecular Formula
C21H19N3S
SMILES
CC1=CC(=C(C=C1)N)C2(NC(=S)N2C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H19N3S/c1-15-12-13-19(22)18(14-15)21(16-8-4-2-5-9-16)23-20(25)24(21)17-10-6-3-7-11-17/h2-14H,22H2,1H3,(H,23,25)
InChIKey
SQITUSNCJFSPHB-UHFFFAOYSA-N
Compound name
4-(2-amino-5-methylphenyl)-1,4-diphenyl-1,3-diazetidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.12997 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.13725 173.8
[M+Na]+ 368.11919 185.4
[M+NH4]+ 363.16379 179.8
[M+K]+ 384.09313 175.0
[M-H]- 344.12269 179.0
[M+Na-2H]- 366.10464 184.2
[M]+ 345.12942 176.6
[M]- 345.13052 176.6
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.