CID 9574730

[(e)-[4-[(e)-(4-isopropylphenyl)methyleneamino]phenyl]methyleneamino]thiourea

Structural Information

Molecular Formula
C18H20N4S
SMILES
CC(C)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)/C=N/NC(=S)N
InChI
InChI=1S/C18H20N4S/c1-13(2)16-7-3-14(4-8-16)11-20-17-9-5-15(6-10-17)12-21-22-18(19)23/h3-13H,1-2H3,(H3,19,22,23)/b20-11?,21-12+
InChIKey
NBMHUBFYXIMRSU-RVTOAVGCSA-N
Compound name
[(E)-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.14087 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14815 177.9
[M+Na]+ 347.13009 182.7
[M-H]- 323.13359 186.2
[M+NH4]+ 342.17469 192.2
[M+K]+ 363.10403 177.1
[M+H-H2O]+ 307.13813 168.3
[M+HCOO]- 369.13907 200.3
[M+CH3COO]- 383.15472 221.6
[M+Na-2H]- 345.11554 179.1
[M]+ 324.14032 177.5
[M]- 324.14142 177.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.