PubChemLite - Zanzalintinib (C29H25FN4O5)

Structural Information

Molecular Formula

SMILES

CNC(=O)C1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F

InChI

InChI=1S/C29H25FN4O5/c1-31-26(35)22-15-21-23(16-25(22)38-2)32-14-11-24(21)39-20-9-7-19(8-10-20)34-28(37)29(12-13-29)27(36)33-18-5-3-17(30)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,35)(H,33,36)(H,34,37)

InChIKey

JSPCKALGNNVYOO-UHFFFAOYSA-N

Compound name

1-N'-(4-fluorophenyl)-1-N-[4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	529.18818	225.3
[M+Na]+	551.17012	238.0
[M+NH4]+	546.21472	231.1
[M+K]+	567.14406	231.0
[M-H]-	527.17362	237.8
[M+Na-2H]-	549.15557	236.2
[M]+	528.18035	231.6
[M]-	528.18145	231.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

529.18818

225.3

[M+Na]+

551.17012

238.0

[M+NH4]+

546.21472

231.1

[M+K]+

567.14406

231.0

[M-H]-

527.17362

237.8

[M+Na-2H]-

549.15557

236.2

[M]+

528.18035

231.6

[M]-

528.18145

231.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Zanzalintinib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe