CID 46191454

Pha-793887

Structural Information

Molecular Formula
C19H31N5O2
SMILES
CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C
InChI
InChI=1S/C19H31N5O2/c1-12(2)10-15(25)20-17-14-11-24(19(3,4)16(14)21-22-17)18(26)13-6-8-23(5)9-7-13/h12-13H,6-11H2,1-5H3,(H2,20,21,22,25)
InChIKey
HUXYBQXJVXOMKX-UHFFFAOYSA-N
Compound name
N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

25
References

559
Patents

361.24777 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.25505 190.5
[M+Na]+ 384.23699 194.9
[M-H]- 360.24049 191.4
[M+NH4]+ 379.28159 203.4
[M+K]+ 400.21093 191.2
[M+H-H2O]+ 344.24503 182.2
[M+HCOO]- 406.24597 201.0
[M+CH3COO]- 420.26162 217.6
[M+Na-2H]- 382.22244 185.1
[M]+ 361.24722 187.2
[M]- 361.24832 187.2
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