CID 154824631

Tuxobertinib

Structural Information

Molecular Formula
C29H29ClN6O4
SMILES
C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)OCCN5CCOCC5
InChI
InChI=1S/C29H29ClN6O4/c1-2-28(37)35-25-16-22-24(17-27(25)39-14-11-36-9-12-38-13-10-36)32-19-33-29(22)34-20-6-7-26(23(30)15-20)40-18-21-5-3-4-8-31-21/h2-8,15-17,19H,1,9-14,18H2,(H,35,37)(H,32,33,34)
InChIKey
HIBPKFXWOPYJPZ-UHFFFAOYSA-N
Compound name
N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-(2-morpholin-4-ylethoxy)quinazolin-6-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

165
Patents

560.1939 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.20118 236.5
[M+Na]+ 583.18312 251.5
[M+NH4]+ 578.22772 240.6
[M+K]+ 599.15706 242.5
[M-H]- 559.18662 244.5
[M+Na-2H]- 581.16857 244.2
[M]+ 560.19335 241.0
[M]- 560.19445 241.0
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