CID 51002556

Faznolutamide

Structural Information

Molecular Formula
C19H17FN4O2S
SMILES
CC1=NC=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=C(C(=C(C=C3)C#N)OC)F
InChI
InChI=1S/C19H17FN4O2S/c1-11-5-7-13(10-22-11)24-18(27)23(17(25)19(24,2)3)14-8-6-12(9-21)16(26-4)15(14)20/h5-8,10H,1-4H3
InChIKey
YMGGYZJNZHRLEN-UHFFFAOYSA-N
Compound name
4-[4,4-dimethyl-3-(6-methyl-3-pyridinyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl]-3-fluoro-2-methoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

384.10562 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.112896 186.8
[M+Na]+ 407.094838 200.5
[M-H]- 383.098344 191.2
[M+NH4]+ 402.139443 198.1
[M+K]+ 423.068778 193.0
[M+H-H2O]+ 367.102880 171.1
[M+HCOO]- 429.103821 196.5
[M+CH3COO]- 443.119471 228.4
[M+Na-2H]- 405.080286 182.9
[M]+ 384.10507142 185.0
[M]- 384.10616858 185.0
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

patents stripe