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]+ 369.238376 191.3
[M+Na]+ 391.220318 193.1
[M-H]- 367.223824 194.0
[M+NH4]+ 386.264923 203.0
[M+K]+ 407.194258 192.7
[M+H-H2O]+ 351.228360 181.8
[M+HCOO]- 413.229301 214.6
[M+CH3COO]- 427.244951 224.7
[M+Na-2H]- 389.205766 191.2
[M]+ 368.23055142 199.5
[M]- 368.23164858 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.