CID 42567

57803-56-2

Structural Information

Molecular Formula
C16H27N3O3
SMILES
CCCCOC1=CC(=CC(=N1)OCCCC)C(=O)N(C)NC
InChI
InChI=1S/C16H27N3O3/c1-5-7-9-21-14-11-13(16(20)19(4)17-3)12-15(18-14)22-10-8-6-2/h11-12,17H,5-10H2,1-4H3
InChIKey
QTWLWIYUQAAJLY-UHFFFAOYSA-N
Compound name
2,6-dibutoxy-N,N'-dimethylpyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

309.20523 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21251 176.4
[M+Na]+ 332.19445 180.9
[M-H]- 308.19795 179.4
[M+NH4]+ 327.23905 190.1
[M+K]+ 348.16839 180.1
[M+H-H2O]+ 292.20249 167.4
[M+HCOO]- 354.20343 199.7
[M+CH3COO]- 368.21908 216.1
[M+Na-2H]- 330.17990 178.3
[M]+ 309.20468 182.7
[M]- 309.20578 182.7
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