CID 76899983

Envonalkib

Structural Information

Molecular Formula
C24H26Cl2FN5O2
SMILES
C[C@H]1CNCCN1C2=NC=C(C(=C2)OC)C3=CC(=C(N=C3)N)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl
InChI
InChI=1S/C24H26Cl2FN5O2/c1-13-10-29-6-7-32(13)21-9-19(33-3)16(12-30-21)15-8-20(24(28)31-11-15)34-14(2)22-17(25)4-5-18(27)23(22)26/h4-5,8-9,11-14,29H,6-7,10H2,1-3H3,(H2,28,31)/t13-,14+/m0/s1
InChIKey
BVGDAZBTIVRTGO-UONOGXRCSA-N
Compound name
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-6-[(2S)-2-methylpiperazin-1-yl]pyridin-3-yl]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1543
Patents

505.14474 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.15202 221.1
[M+Na]+ 528.13396 236.4
[M+NH4]+ 523.17856 225.9
[M+K]+ 544.10790 228.0
[M-H]- 504.13746 225.7
[M+Na-2H]- 526.11941 227.9
[M]+ 505.14419 225.1
[M]- 505.14529 225.1
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

patents stripe