CID 155282305

Vustanaciclib

Structural Information

Molecular Formula
C26H30N8O
SMILES
CC(C)C1=C2C=C(C=CN2N=C1)C3=NC(=NC=C3)NC4=NC=C(C=C4)N5CC[C@@H](CC5=O)N(C)C
InChI
InChI=1S/C26H30N8O/c1-17(2)21-16-29-34-12-8-18(13-23(21)34)22-7-10-27-26(30-22)31-24-6-5-20(15-28-24)33-11-9-19(32(3)4)14-25(33)35/h5-8,10,12-13,15-17,19H,9,11,14H2,1-4H3,(H,27,28,30,31)/t19-/m0/s1
InChIKey
QZJWVFBTMGPBPY-IBGZPJMESA-N
Compound name
(4S)-4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

470.25427 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.261546 216.8
[M+Na]+ 493.243488 223.0
[M-H]- 469.246994 224.2
[M+NH4]+ 488.288093 218.6
[M+K]+ 509.217428 215.1
[M+H-H2O]+ 453.251530 201.9
[M+HCOO]- 515.252471 230.4
[M+CH3COO]- 529.268121 222.6
[M+Na-2H]- 491.228936 216.9
[M]+ 470.25372142 216.5
[M]- 470.25481858 216.5
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.