CID 172142898

Amg410

Structural Information

Molecular Formula
C31H32ClF2N7O5
SMILES
C1CC2=C(C=C3C(=C2C4=NC=C5C(=C4F)N=C(N=C5N6CCOC[C@H](C6)OC(=O)OC1)OC[C@@]78CCCN7C[C@@H](C8)F)C=NN3)Cl
InChI
InChI=1S/C31H32ClF2N7O5/c32-22-9-23-20(12-36-39-23)24-19(22)3-1-7-44-30(42)46-18-14-40(6-8-43-15-18)28-21-11-35-27(24)25(34)26(21)37-29(38-28)45-16-31-4-2-5-41(31)13-17(33)10-31/h9,11-12,17-18H,1-8,10,13-16H2,(H,36,39)/t17-,18+,31+/m1/s1
InChIKey
FRRZEUVDJRQIGA-QSDPREHASA-N
Compound name
(26S)-18-chloro-32-fluoro-4-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-23,25,28-trioxa-1,3,5,9,14,15-hexazahexacyclo[24.4.1.16,10.02,7.011,19.012,16]dotriaconta-2,4,6(32),7,9,11,13,16,18-nonaen-24-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

655.21216 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 656.21944 187.8
[M+Na]+ 678.20138 191.9
[M-H]- 654.20488 179.8
[M+NH4]+ 673.24598 189.0
[M+K]+ 694.17532 190.7
[M+H-H2O]+ 638.20942 180.4
[M+HCOO]- 700.21036 174.2
[M+CH3COO]- 714.22601 188.2
[M+Na-2H]- 676.18683 184.5
[M]+ 655.21161 188.2
[M]- 655.21271 188.2
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