CID 3052991

Brn 5599383

Structural Information

Molecular Formula
C18H21N3O3
SMILES
CC(C)N(CC(C)OC(=O)C1=CN=CC=C1)C(=O)C2=CN=CC=C2
InChI
InChI=1S/C18H21N3O3/c1-13(2)21(17(22)15-6-4-8-19-10-15)12-14(3)24-18(23)16-7-5-9-20-11-16/h4-11,13-14H,12H2,1-3H3
InChIKey
ZMRWHFIYVWSASP-UHFFFAOYSA-N
Compound name
1-[propan-2-yl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.1583 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.165576 177.6
[M+Na]+ 350.147518 181.0
[M-H]- 326.151024 182.2
[M+NH4]+ 345.192123 188.1
[M+K]+ 366.121458 179.8
[M+H-H2O]+ 310.155560 167.2
[M+HCOO]- 372.156501 196.6
[M+CH3COO]- 386.172151 214.2
[M+Na-2H]- 348.132966 179.1
[M]+ 327.15775142 179.9
[M]- 327.15884858 179.9
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

No patent data available for this compound.