CID 118704864

1180002-01-0

Structural Information

Molecular Formula
C15H23N3O4
SMILES
CC(C)(C)OC(=O)N(C)CC(=O)OCC1=C(N=CC=C1)NC
InChI
InChI=1S/C15H23N3O4/c1-15(2,3)22-14(20)18(5)9-12(19)21-10-11-7-6-8-17-13(11)16-4/h6-8H,9-10H2,1-5H3,(H,16,17)
InChIKey
SREJHHORJXVQGX-UHFFFAOYSA-N
Compound name
[2-(methylamino)-3-pyridinyl]methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

309.16885 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.176126 173.5
[M+Na]+ 332.158068 178.1
[M-H]- 308.161574 177.0
[M+NH4]+ 327.202673 187.1
[M+K]+ 348.132008 178.7
[M+H-H2O]+ 292.166110 165.4
[M+HCOO]- 354.167051 195.2
[M+CH3COO]- 368.182701 212.5
[M+Na-2H]- 330.143516 176.6
[M]+ 309.16830142 178.5
[M]- 309.16939858 178.5
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