CID 52247

73698-76-7

Structural Information

Molecular Formula
C19H32N2O5
SMILES
CCN(CC)CCOCCOCCOCCOC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C19H32N2O5/c1-3-21(4-2)9-10-23-11-12-24-13-14-25-15-16-26-19(22)17-5-7-18(20)8-6-17/h5-8H,3-4,9-16,20H2,1-2H3
InChIKey
XKSSAAQGOHPZTC-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.2311 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.23838 191.3
[M+Na]+ 391.22032 193.1
[M-H]- 367.22382 194.0
[M+NH4]+ 386.26492 203.0
[M+K]+ 407.19426 192.7
[M+H-H2O]+ 351.22836 181.8
[M+HCOO]- 413.22930 214.6
[M+CH3COO]- 427.24495 224.7
[M+Na-2H]- 389.20577 191.2
[M]+ 368.23055 199.5
[M]- 368.23165 199.5
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.