CID 5278929

Benzenamine, 4-[[(2r)-2,3-dihydro-2-methyl-6-nitroimidazo[2,1-b]oxazol-2-yl]methoxy]-n-methyl-n-[(2e)-3-[4-(trifluoromethyl)phenyl]-2-propenyl]-

Structural Information

Molecular Formula
C24H23F3N4O4
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N(C)C/C=C/C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C24H23F3N4O4/c1-23(15-30-14-21(31(32)33)28-22(30)35-23)16-34-20-11-9-19(10-12-20)29(2)13-3-4-17-5-7-18(8-6-17)24(25,26)27/h3-12,14H,13,15-16H2,1-2H3/b4-3+/t23-/m1/s1
InChIKey
PJKBLZAHRFKXFS-OSFWOZTASA-N
Compound name
N-methyl-4-[[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy]-N-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.16714 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.17442 212.2
[M+Na]+ 511.15636 217.5
[M-H]- 487.15986 218.8
[M+NH4]+ 506.20096 220.9
[M+K]+ 527.13030 209.7
[M+H-H2O]+ 471.16440 204.7
[M+HCOO]- 533.16534 228.8
[M+CH3COO]- 547.18099 234.8
[M+Na-2H]- 509.14181 215.4
[M]+ 488.16659 211.7
[M]- 488.16769 211.7
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.