CID 6434591

5-((4-bromophenyl)methylene)-3-(2-nitrophenyl)-2-thioxo-4-imidazolidinone

Structural Information

Molecular Formula
C16H10BrN3O3S
SMILES
C1=CC=C(C(=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)Br)/NC2=S)[N+](=O)[O-]
InChI
InChI=1S/C16H10BrN3O3S/c17-11-7-5-10(6-8-11)9-12-15(21)19(16(24)18-12)13-3-1-2-4-14(13)20(22)23/h1-9H,(H,18,24)/b12-9-
InChIKey
AVXWPPFBMQSGPA-XFXZXTDPSA-N
Compound name
(5Z)-5-[(4-bromophenyl)methylidene]-3-(2-nitrophenyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.96262 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.96990 177.1
[M+Na]+ 425.95184 187.8
[M-H]- 401.95534 186.2
[M+NH4]+ 420.99644 190.3
[M+K]+ 441.92578 169.2
[M+H-H2O]+ 385.95988 179.6
[M+HCOO]- 447.96082 190.9
[M+CH3COO]- 461.97647 205.7
[M+Na-2H]- 423.93729 179.4
[M]+ 402.96207 192.7
[M]- 402.96317 192.7
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.