CID 45140267

Sintokamide d

Structural Information

Molecular Formula
C18H26Cl4N2O4
SMILES
CCC(=O)N[C@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)N1[C@H](C(=CC1=O)OC)C[C@H](C)CCl
InChI
InChI=1S/C18H26Cl4N2O4/c1-5-15(25)23-12(7-11(3)18(20,21)22)17(27)24-13(6-10(2)9-19)14(28-4)8-16(24)26/h8,10-13H,5-7,9H2,1-4H3,(H,23,25)/t10-,11-,12+,13-/m0/s1
InChIKey
SMVFICSBIUXYHT-RVMXOQNASA-N
Compound name
N-[(2R,4S)-5,5,5-trichloro-1-[(2S)-2-[(2S)-3-chloro-2-methylpropyl]-3-methoxy-5-oxo-2H-pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

474.06467 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.07195 203.0
[M+Na]+ 497.05389 207.9
[M-H]- 473.05739 202.5
[M+NH4]+ 492.09849 213.1
[M+K]+ 513.02783 203.0
[M+H-H2O]+ 457.06193 199.5
[M+HCOO]- 519.06287 199.2
[M+CH3COO]- 533.07852 233.6
[M+Na-2H]- 495.03934 195.1
[M]+ 474.06412 208.4
[M]- 474.06522 208.4
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