CID 156818030

Fhd-286

Structural Information

Molecular Formula
C24H30N6O6S2
SMILES
C[C@@H]1CN(C[C@@H](O1)C)C2=CC=CC(=N2)C3=CSC(=N3)NC(=O)[C@H](COC)NC(=O)C4=CN(C=C4)S(=O)(=O)C
InChI
InChI=1S/C24H30N6O6S2/c1-15-10-29(11-16(2)36-15)21-7-5-6-18(25-21)20-14-37-24(27-20)28-23(32)19(13-35-3)26-22(31)17-8-9-30(12-17)38(4,33)34/h5-9,12,14-16,19H,10-11,13H2,1-4H3,(H,26,31)(H,27,28,32)/t15-,16+,19-/m0/s1
InChIKey
JBLQNFBXKOAIHG-FCEWJHQRSA-N
Compound name
N-[(2S)-1-[[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-2-yl]-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-1-methylsulfonylpyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

35
Patents

562.1668 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.17408 222.8
[M+Na]+ 585.15602 229.9
[M+NH4]+ 580.20062 224.4
[M+K]+ 601.12996 228.6
[M-H]- 561.15952 226.3
[M+Na-2H]- 583.14147 226.9
[M]+ 562.16625 225.1
[M]- 562.16735 225.1
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

patents stripe