CID 135491420

Chembl3091644

Structural Information

Molecular Formula
C23H32N4O2
SMILES
CCCCN(CCCC)CC1=C(C(=CC=C1)/C(=N/NC(=O)C2=CC=NC=C2)/C)O
InChI
InChI=1S/C23H32N4O2/c1-4-6-15-27(16-7-5-2)17-20-9-8-10-21(22(20)28)18(3)25-26-23(29)19-11-13-24-14-12-19/h8-14,28H,4-7,15-17H2,1-3H3,(H,26,29)/b25-18+
InChIKey
GXCBBALIXDYHDN-XIEYBQDHSA-N
Compound name
N-[(E)-1-[3-[(dibutylamino)methyl]-2-hydroxyphenyl]ethylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

396.25253 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.25981 201.4
[M+Na]+ 419.24175 203.2
[M-H]- 395.24525 206.8
[M+NH4]+ 414.28635 210.5
[M+K]+ 435.21569 199.7
[M+H-H2O]+ 379.24979 190.3
[M+HCOO]- 441.25073 223.7
[M+CH3COO]- 455.26638 235.1
[M+Na-2H]- 417.22720 201.6
[M]+ 396.25198 204.0
[M]- 396.25308 204.0
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

No patent data available for this compound.