CID 166077922

Arv-393

Structural Information

Molecular Formula
C46H53ClFN9O7
SMILES
CC(C)N1C2=C(C=C(C=C2)NC3=NC(=NC=C3Cl)N4CCC(CC4)OC5CC(C5)N6CCC(CC6)C7=C(C8=C(C=C7)C(=O)N(C8)C9CCC(=O)NC9=O)F)C=C(C1=O)OCC(=O)NC
InChI
InChI=1S/C46H53ClFN9O7/c1-25(2)57-36-7-4-28(18-27(36)19-38(45(57)62)63-24-40(59)49-3)51-42-35(47)22-50-46(53-42)55-16-12-30(13-17-55)64-31-20-29(21-31)54-14-10-26(11-15-54)32-5-6-33-34(41(32)48)23-56(44(33)61)37-8-9-39(58)52-43(37)60/h4-7,18-19,22,25-26,29-31,37H,8-17,20-21,23-24H2,1-3H3,(H,49,59)(H,50,51,53)(H,52,58,60)
InChIKey
ZOGOEUHUEFKKTD-UHFFFAOYSA-N
Compound name
2-[6-[[5-chloro-2-[4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]cyclobutyl]oxypiperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

897.374 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 898.38128 262.5
[M+Na]+ 920.36322 268.4
[M-H]- 896.36672 253.2
[M+NH4]+ 915.40782 262.2
[M+K]+ 936.33716 254.7
[M+H-H2O]+ 880.37126 241.8
[M+HCOO]- 942.37220 263.4
[M+CH3COO]- 956.38785 266.4
[M+Na-2H]- 918.34867 269.7
[M]+ 897.37345 281.3
[M]- 897.37455 281.3
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