CID 18534534

4-(dibutylamino)salicylaldehyde

Structural Information

Molecular Formula
C15H23NO2
SMILES
CCCCN(CCCC)C1=CC(=C(C=C1)C=O)O
InChI
InChI=1S/C15H23NO2/c1-3-5-9-16(10-6-4-2)14-8-7-13(12-17)15(18)11-14/h7-8,11-12,18H,3-6,9-10H2,1-2H3
InChIKey
BWHGDPKOFVNGFQ-UHFFFAOYSA-N
Compound name
4-(dibutylamino)-2-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

249.17288 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 160.5
[M+Na]+ 272.162098 166.3
[M-H]- 248.165604 163.7
[M+NH4]+ 267.206703 177.8
[M+K]+ 288.136038 163.8
[M+H-H2O]+ 232.170140 153.5
[M+HCOO]- 294.171081 183.7
[M+CH3COO]- 308.186731 200.6
[M+Na-2H]- 270.147546 163.1
[M]+ 249.17233142 164.1
[M]- 249.17342858 164.1
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

patents stripe