CID 16206229

Win 3617

Structural Information

Molecular Formula
C14H22N2O3
SMILES
CCN(CC)CCCOC(=O)C1=C(C=C(C=C1)N)O
InChI
InChI=1S/C14H22N2O3/c1-3-16(4-2)8-5-9-19-14(18)12-7-6-11(15)10-13(12)17/h6-7,10,17H,3-5,8-9,15H2,1-2H3
InChIKey
OMIAKTKUEOJTFG-UHFFFAOYSA-N
Compound name
3-(diethylamino)propyl 4-amino-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.16306 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17034 164.0
[M+Na]+ 289.15228 169.0
[M-H]- 265.15578 166.9
[M+NH4]+ 284.19688 179.9
[M+K]+ 305.12622 167.6
[M+H-H2O]+ 249.16032 156.6
[M+HCOO]- 311.16126 187.1
[M+CH3COO]- 325.17691 204.4
[M+Na-2H]- 287.13773 165.1
[M]+ 266.16251 166.2
[M]- 266.16361 166.2
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