CID 16727862

Carbamic acid, [2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]4-pyridinyl-, 1,1-dimethylethyl ester

Structural Information

Molecular Formula
C23H19ClFN5O2
SMILES
CC(C)(C)OC(=O)N(C1=CC=NC=C1)C2=NC(=NC3=C2C=CC=N3)C4=C(C=CC(=C4)Cl)F
InChI
InChI=1S/C23H19ClFN5O2/c1-23(2,3)32-22(31)30(15-8-11-26-12-9-15)21-16-5-4-10-27-19(16)28-20(29-21)17-13-14(24)6-7-18(17)25/h4-13H,1-3H3
InChIKey
MJOBXPANNMLIOX-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]-N-pyridin-4-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.12112 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.12840 208.1
[M+Na]+ 474.11034 216.9
[M-H]- 450.11384 213.4
[M+NH4]+ 469.15494 213.1
[M+K]+ 490.08428 209.9
[M+H-H2O]+ 434.11838 194.0
[M+HCOO]- 496.11932 218.1
[M+CH3COO]- 510.13497 215.6
[M+Na-2H]- 472.09579 212.9
[M]+ 451.12057 212.1
[M]- 451.12167 212.1
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

No patent data available for this compound.