CID 5272305

Acetamide, n-[4-(2-amino-4-thiazolyl)phenyl]-2-[bis[(2-fluorophenyl)methyl]amino]-

Structural Information

Molecular Formula
C25H22F2N4OS
SMILES
C1=CC=C(C(=C1)CN(CC2=CC=CC=C2F)CC(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N)F
InChI
InChI=1S/C25H22F2N4OS/c26-21-7-3-1-5-18(21)13-31(14-19-6-2-4-8-22(19)27)15-24(32)29-20-11-9-17(10-12-20)23-16-33-25(28)30-23/h1-12,16H,13-15H2,(H2,28,30)(H,29,32)
InChIKey
ZZMRGHMRXSNEDQ-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[bis[(2-fluorophenyl)methyl]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.14822 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.15550 207.8
[M+Na]+ 487.13744 213.6
[M-H]- 463.14094 217.5
[M+NH4]+ 482.18204 215.9
[M+K]+ 503.11138 206.0
[M+H-H2O]+ 447.14548 195.1
[M+HCOO]- 509.14642 225.7
[M+CH3COO]- 523.16207 215.6
[M+Na-2H]- 485.12289 205.7
[M]+ 464.14767 207.3
[M]- 464.14877 207.3
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.