CID 91754477

Cevidoplenib

Structural Information

Molecular Formula
C25H27N7O3
SMILES
CC1=NN(C=C1CN2C[C@@H](CO2)O)C3=NC(=NC=C3)NC4=CC5=C(C=C4)N(C=C5C(=O)C6CC6)C
InChI
InChI=1S/C25H27N7O3/c1-15-17(10-31-12-19(33)14-35-31)11-32(29-15)23-7-8-26-25(28-23)27-18-5-6-22-20(9-18)21(13-30(22)2)24(34)16-3-4-16/h5-9,11,13,16,19,33H,3-4,10,12,14H2,1-2H3,(H,26,27,28)/t19-/m0/s1
InChIKey
YCZUBLQESBVOSH-IBGZPJMESA-N
Compound name
cyclopropyl-[5-[[4-[4-[[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

17
Patents

473.21753 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.22481 215.6
[M+Na]+ 496.20675 225.3
[M-H]- 472.21025 226.1
[M+NH4]+ 491.25135 215.2
[M+K]+ 512.18069 217.2
[M+H-H2O]+ 456.21479 206.4
[M+HCOO]- 518.21573 229.9
[M+CH3COO]- 532.23138 222.4
[M+Na-2H]- 494.19220 209.0
[M]+ 473.21698 220.6
[M]- 473.21808 220.6
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.