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

807
Patents

328.1423 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.149576 177.8
[M+Na]+ 351.131518 182.4
[M-H]- 327.135024 183.2
[M+NH4]+ 346.176123 190.2
[M+K]+ 367.105458 179.4
[M+H-H2O]+ 311.139560 168.8
[M+HCOO]- 373.140501 200.8
[M+CH3COO]- 387.156151 212.5
[M+Na-2H]- 349.116966 178.7
[M]+ 328.14175142 178.5
[M]- 328.14284858 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