CID 72948400

Lml134

Structural Information

Molecular Formula
C19H29N5O3
SMILES
CN1C(=O)C=CC(=N1)N2CCC(CC2)OC(=O)N3CCN(CC3)C4CCC4
InChI
InChI=1S/C19H29N5O3/c1-21-18(25)6-5-17(20-21)23-9-7-16(8-10-23)27-19(26)24-13-11-22(12-14-24)15-3-2-4-15/h5-6,15-16H,2-4,7-14H2,1H3
InChIKey
BVUJMFFRMZRNAT-UHFFFAOYSA-N
Compound name
[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

58
Patents

375.22705 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.23433 191.3
[M+Na]+ 398.21627 192.7
[M-H]- 374.21977 194.4
[M+NH4]+ 393.26087 189.0
[M+K]+ 414.19021 191.7
[M+H-H2O]+ 358.22431 172.1
[M+HCOO]- 420.22525 197.8
[M+CH3COO]- 434.24090 218.8
[M+Na-2H]- 396.20172 188.3
[M]+ 375.22650 192.4
[M]- 375.22760 192.4
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