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

777
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 177.8
[M+Na]+ 351.13152 182.4
[M-H]- 327.13502 183.2
[M+NH4]+ 346.17612 190.2
[M+K]+ 367.10546 179.4
[M+H-H2O]+ 311.13956 168.8
[M+HCOO]- 373.14050 200.8
[M+CH3COO]- 387.15615 212.5
[M+Na-2H]- 349.11697 178.7
[M]+ 328.14175 178.5
[M]- 328.14285 178.5
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

patents stripe