CID 2733805

L-methionine 7-amido-4-methylcoumarin trifluoroacetate salt

Structural Information

Molecular Formula
C15H18N2O3S
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CCSC)N
InChI
InChI=1S/C15H18N2O3S/c1-9-7-14(18)20-13-8-10(3-4-11(9)13)17-15(19)12(16)5-6-21-2/h3-4,7-8,12H,5-6,16H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKey
FHLNBHBQGFIHKH-LBPRGKRZSA-N
Compound name
(2S)-2-amino-N-(4-methyl-2-oxochromen-7-yl)-4-methylsulfanylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

306.10382 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.11110 169.8
[M+Na]+ 329.09304 176.7
[M-H]- 305.09654 174.4
[M+NH4]+ 324.13764 184.3
[M+K]+ 345.06698 173.7
[M+H-H2O]+ 289.10108 162.5
[M+HCOO]- 351.10202 186.3
[M+CH3COO]- 365.11767 209.4
[M+Na-2H]- 327.07849 171.8
[M]+ 306.10327 173.6
[M]- 306.10437 173.6
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