CID 54173

S 803

Structural Information

Molecular Formula
C19H32N2O3
SMILES
CCCCNC1=CC(=C(C=C1)C(=O)OCCN(C)C)OCCCC
InChI
InChI=1S/C19H32N2O3/c1-5-7-11-20-16-9-10-17(18(15-16)23-13-8-6-2)19(22)24-14-12-21(3)4/h9-10,15,20H,5-8,11-14H2,1-4H3
InChIKey
VHLLWHUQQXYFTE-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-butoxy-4-(butylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.2413 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.24858 186.2
[M+Na]+ 359.23052 189.4
[M-H]- 335.23402 190.0
[M+NH4]+ 354.27512 200.2
[M+K]+ 375.20446 188.0
[M+H-H2O]+ 319.23856 177.5
[M+HCOO]- 381.23950 209.8
[M+CH3COO]- 395.25515 222.4
[M+Na-2H]- 357.21597 186.2
[M]+ 336.24075 193.1
[M]- 336.24185 193.1
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