CID 135211735

Ficonalkib

Structural Information

Molecular Formula
C29H39N7O3S
SMILES
CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC3=C2CCN3)NC4=C(C=C(C=C4)N5CCC(CC5)N(C)C)OC
InChI
InChI=1S/C29H39N7O3S/c1-19(2)40(37,38)26-9-7-6-8-24(26)31-28-22-12-15-30-27(22)33-29(34-28)32-23-11-10-21(18-25(23)39-5)36-16-13-20(14-17-36)35(3)4/h6-11,18-20H,12-17H2,1-5H3,(H3,30,31,32,33,34)
InChIKey
LDTJJGGYLQQRSP-UHFFFAOYSA-N
Compound name
2-N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

565.2835 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.29078 229.3
[M+Na]+ 588.27272 238.5
[M+NH4]+ 583.31732 233.1
[M+K]+ 604.24666 233.8
[M-H]- 564.27622 235.1
[M+Na-2H]- 586.25817 235.8
[M]+ 565.28295 232.3
[M]- 565.28405 232.3
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