CID 57828

100347-85-1

Structural Information

Molecular Formula
C18H30N2O3
SMILES
CCCCOC1=C(C=CC(=C1)N)C(=O)OCCCN(CC)CC
InChI
InChI=1S/C18H30N2O3/c1-4-7-12-22-17-14-15(19)9-10-16(17)18(21)23-13-8-11-20(5-2)6-3/h9-10,14H,4-8,11-13,19H2,1-3H3
InChIKey
OHMNXBRYQFDLJH-UHFFFAOYSA-N
Compound name
3-(diethylamino)propyl 4-amino-2-butoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.22565 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.23293 181.1
[M+Na]+ 345.21487 189.6
[M+NH4]+ 340.25947 186.7
[M+K]+ 361.18881 183.6
[M-H]- 321.21837 182.8
[M+Na-2H]- 343.20032 184.3
[M]+ 322.22510 182.5
[M]- 322.22620 182.5
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

No patent data available for this compound.