CID 18401323

54667-43-5

Structural Information

Molecular Formula
C18H20N2O4
SMILES
C1=CC(=CC=C1C(=O)OCCCCOC(=O)C2=CC=C(C=C2)N)N
InChI
InChI=1S/C18H20N2O4/c19-15-7-3-13(4-8-15)17(21)23-11-1-2-12-24-18(22)14-5-9-16(20)10-6-14/h3-10H,1-2,11-12,19-20H2
InChIKey
UCHUCWHZVSIPQI-UHFFFAOYSA-N
Compound name
4-(4-aminobenzoyl)oxybutyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

616
Patents

328.1423 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.14958 178.4
[M+Na]+ 351.13152 188.6
[M+NH4]+ 346.17612 183.9
[M+K]+ 367.10546 183.1
[M-H]- 327.13502 181.6
[M+Na-2H]- 349.11697 184.2
[M]+ 328.14175 180.4
[M]- 328.14285 180.4
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