CID 16118392

Golvatinib

Structural Information

Molecular Formula
C33H37F2N7O4
SMILES
CN1CCN(CC1)C2CCN(CC2)C(=O)NC3=NC=CC(=C3)OC4=CC(=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F
InChI
InChI=1S/C33H37F2N7O4/c1-40-16-18-41(19-17-40)24-9-14-42(15-10-24)32(45)39-29-21-26(8-13-36-29)46-25-6-7-28(27(35)20-25)38-31(44)33(11-12-33)30(43)37-23-4-2-22(34)3-5-23/h2-8,13,20-21,24H,9-12,14-19H2,1H3,(H,37,43)(H,38,44)(H,36,39,45)
InChIKey
UQRCJCNVNUFYDX-UHFFFAOYSA-N
Compound name
1-N'-[2-fluoro-4-[2-[[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino]pyridin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

25
References

1241
Patents

633.28754 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 634.29482 243.0
[M+Na]+ 656.27676 251.8
[M+NH4]+ 651.32136 246.0
[M+K]+ 672.25070 246.4
[M-H]- 632.28026 254.4
[M+Na-2H]- 654.26221 252.2
[M]+ 633.28699 247.9
[M]- 633.28809 247.9
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