CID 31486

22684-78-2

Structural Information

Molecular Formula
C18H29NO4
SMILES
CCCCNCCOC(=O)C1=C(C(=CC=C1)OC)OCCCC
InChI
InChI=1S/C18H29NO4/c1-4-6-11-19-12-14-23-18(20)15-9-8-10-16(21-3)17(15)22-13-7-5-2/h8-10,19H,4-7,11-14H2,1-3H3
InChIKey
GUKYZZSKXIILLI-UHFFFAOYSA-N
Compound name
2-(butylamino)ethyl 2-butoxy-3-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.20966 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.21694 180.1
[M+Na]+ 346.19888 184.4
[M-H]- 322.20238 182.7
[M+NH4]+ 341.24348 194.3
[M+K]+ 362.17282 182.4
[M+H-H2O]+ 306.20692 172.0
[M+HCOO]- 368.20786 202.7
[M+CH3COO]- 382.22351 213.0
[M+Na-2H]- 344.18433 181.2
[M]+ 323.20911 187.6
[M]- 323.21021 187.6
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.