CID 146683647

Mirabimide c

Structural Information

Molecular Formula
C32H54N4O7
SMILES
CC(C)C[C@@H](C(=O)O[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N2[C@@H](C(=CC2=O)OC)C(C)C)N(C)C
InChI
InChI=1S/C32H54N4O7/c1-18(2)16-23(33(9)10)32(41)43-28(21(7)8)31(40)34(11)27(20(5)6)30(39)35-15-13-14-22(35)29(38)36-25(37)17-24(42-12)26(36)19(3)4/h17-23,26-28H,13-16H2,1-12H3/t22-,23+,26-,27+,28+/m1/s1
InChIKey
YOTGKFHYVQWTJS-OZGQDTGISA-N
Compound name
[(2S)-1-[[(2S)-1-[(2R)-2-[(2R)-3-methoxy-5-oxo-2-propan-2-yl-2H-pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl] (2S)-2-(dimethylamino)-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

606.39923 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.40651 245.9
[M+Na]+ 629.38845 269.1
[M-H]- 605.39195 260.9
[M+NH4]+ 624.43305 273.5
[M+K]+ 645.36239 264.2
[M+H-H2O]+ 589.39649 236.2
[M+HCOO]- 651.39743 239.6
[M+CH3COO]- 665.41308 278.1
[M+Na-2H]- 627.37390 241.4
[M]+ 606.39868 248.1
[M]- 606.39978 248.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.