CID 20142

4172-63-8

Structural Information

Molecular Formula
C15H24N2O3
SMILES
CCCNC1=CC=C(C=C1)C(=O)OCC(CN(C)C)O
InChI
InChI=1S/C15H24N2O3/c1-4-9-16-13-7-5-12(6-8-13)15(19)20-11-14(18)10-17(2)3/h5-8,14,16,18H,4,9-11H2,1-3H3
InChIKey
SIVHMKRQTQHNIO-UHFFFAOYSA-N
Compound name
[3-(dimethylamino)-2-hydroxypropyl] 4-(propylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

280.17868 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.18596 168.9
[M+Na]+ 303.16790 172.2
[M-H]- 279.17140 171.7
[M+NH4]+ 298.21250 184.0
[M+K]+ 319.14184 171.4
[M+H-H2O]+ 263.17594 161.1
[M+HCOO]- 325.17688 191.3
[M+CH3COO]- 339.19253 207.7
[M+Na-2H]- 301.15335 170.0
[M]+ 280.17813 171.4
[M]- 280.17923 171.4
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