CID 56646218

Mpi-0485520

Structural Information

Molecular Formula
C23H20N6O
SMILES
C1CCN(C1)C2=C(C=C(C=C2)C3=NC(=NC=C3)NC4=CC5=C(C=C4)NC(=O)C5)C#N
InChI
InChI=1S/C23H20N6O/c24-14-17-11-15(3-6-21(17)29-9-1-2-10-29)20-7-8-25-23(28-20)26-18-4-5-19-16(12-18)13-22(30)27-19/h3-8,11-12H,1-2,9-10,13H2,(H,27,30)(H,25,26,28)
InChIKey
DHPSFJYFPJRCTN-UHFFFAOYSA-N
Compound name
5-[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

42
Patents

396.16986 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.17714 193.7
[M+Na]+ 419.15908 202.1
[M-H]- 395.16258 197.3
[M+NH4]+ 414.20368 200.2
[M+K]+ 435.13302 190.6
[M+H-H2O]+ 379.16712 174.7
[M+HCOO]- 441.16806 205.1
[M+CH3COO]- 455.18371 199.3
[M+Na-2H]- 417.14453 191.5
[M]+ 396.16931 183.6
[M]- 396.17041 183.6
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