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

18
Patents

309.16885 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.17613 173.5
[M+Na]+ 332.15807 178.1
[M-H]- 308.16157 177.0
[M+NH4]+ 327.20267 187.1
[M+K]+ 348.13201 178.7
[M+H-H2O]+ 292.16611 165.4
[M+HCOO]- 354.16705 195.2
[M+CH3COO]- 368.18270 212.5
[M+Na-2H]- 330.14352 176.6
[M]+ 309.16830 178.5
[M]- 309.16940 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