CID 3066727

Thiourea, n-(2-benzoyl-4-nitrophenyl)-n'-(4-ethoxyphenyl)-

Structural Information

Molecular Formula
C22H19N3O4S
SMILES
CCOC1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H19N3O4S/c1-2-29-18-11-8-16(9-12-18)23-22(30)24-20-13-10-17(25(27)28)14-19(20)21(26)15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H2,23,24,30)
InChIKey
XXCNXNPSGSKBOD-UHFFFAOYSA-N
Compound name
1-(2-benzoyl-4-nitrophenyl)-3-(4-ethoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.10962 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.11690 194.3
[M+Na]+ 444.09884 207.1
[M+NH4]+ 439.14344 200.7
[M+K]+ 460.07278 200.7
[M-H]- 420.10234 202.1
[M+Na-2H]- 442.08429 203.7
[M]+ 421.10907 198.6
[M]- 421.11017 198.6
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.