CID 122678117

Atuliflapon

Structural Information

Molecular Formula
C24H26N6O3
SMILES
CC1=CC(=NN1)C2=CC=C(C=C2)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC4=C5C(=O)NCCN5N=C4
InChI
InChI=1S/C24H26N6O3/c1-14-12-19(29-28-14)15-6-8-16(9-7-15)22(31)17-4-2-3-5-18(17)23(32)27-20-13-26-30-11-10-25-24(33)21(20)30/h6-9,12-13,17-18H,2-5,10-11H2,1H3,(H,25,33)(H,27,32)(H,28,29)/t17-,18-/m1/s1
InChIKey
ROTWSDMXHVGAHZ-QZTJIDSGSA-N
Compound name
trans-(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]-N-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

46
Patents

446.20663 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.21391 204.4
[M+Na]+ 469.19585 208.1
[M-H]- 445.19935 209.4
[M+NH4]+ 464.24045 208.3
[M+K]+ 485.16979 200.7
[M+H-H2O]+ 429.20389 192.7
[M+HCOO]- 491.20483 213.9
[M+CH3COO]- 505.22048 209.6
[M+Na-2H]- 467.18130 199.6
[M]+ 446.20608 197.9
[M]- 446.20718 197.9
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.