CID 156526655

Mrtx0902

Structural Information

Molecular Formula
C22H24N6O
SMILES
CC1=C(C=CC=C1[C@@H](C)NC2=NN=C(C3=CN=C(C=C32)N4CCOCC4)C)C#N
InChI
InChI=1S/C22H24N6O/c1-14-17(12-23)5-4-6-18(14)15(2)25-22-19-11-21(28-7-9-29-10-8-28)24-13-20(19)16(3)26-27-22/h4-6,11,13,15H,7-10H2,1-3H3,(H,25,27)/t15-/m1/s1
InChIKey
ILPWEAHQRAWJIU-OAHLLOKOSA-N
Compound name
2-methyl-3-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

157
Patents

388.20117 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.20845 194.3
[M+Na]+ 411.19039 202.0
[M-H]- 387.19389 196.0
[M+NH4]+ 406.23499 197.6
[M+K]+ 427.16433 194.1
[M+H-H2O]+ 371.19843 174.4
[M+HCOO]- 433.19937 202.7
[M+CH3COO]- 447.21502 199.5
[M+Na-2H]- 409.17584 195.8
[M]+ 388.20062 186.5
[M]- 388.20172 186.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe