CID 124111645

2054950-50-2

Structural Information

Molecular Formula
C19H28N6O3
SMILES
CC(C)(C)OC(=O)N1CCC[C@H](C1)N2C3=C(C(=NC=C3)N=CN(C)C)NC2=O
InChI
InChI=1S/C19H28N6O3/c1-19(2,3)28-18(27)24-10-6-7-13(11-24)25-14-8-9-20-16(21-12-23(4)5)15(14)22-17(25)26/h8-9,12-13H,6-7,10-11H2,1-5H3,(H,22,26)/t13-/m1/s1
InChIKey
QPZCVKDYJQPVQR-CYBMUJFWSA-N
Compound name
tert-butyl (3R)-3-[4-(dimethylaminomethylideneamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

388.2223 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.22958 190.6
[M+Na]+ 411.21152 199.7
[M+NH4]+ 406.25612 194.2
[M+K]+ 427.18546 198.0
[M-H]- 387.21502 191.1
[M+Na-2H]- 409.19697 194.0
[M]+ 388.22175 191.5
[M]- 388.22285 191.5
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

patents stripe