CID 60440

110437-09-7

Structural Information

Molecular Formula
C20H33N3O3
SMILES
CCN(CC)CC(C(=O)NC1=CC=CC=C1C(=O)OCC)N(CC)CC
InChI
InChI=1S/C20H33N3O3/c1-6-22(7-2)15-18(23(8-3)9-4)19(24)21-17-14-12-11-13-16(17)20(25)26-10-5/h11-14,18H,6-10,15H2,1-5H3,(H,21,24)
InChIKey
NWNLJYMTMSCDHA-UHFFFAOYSA-N
Compound name
ethyl 2-[2,3-bis(diethylamino)propanoylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.2522 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.25948 194.9
[M+Na]+ 386.24142 195.9
[M-H]- 362.24492 199.7
[M+NH4]+ 381.28602 207.5
[M+K]+ 402.21536 196.4
[M+H-H2O]+ 346.24946 185.6
[M+HCOO]- 408.25040 217.8
[M+CH3COO]- 422.26605 232.9
[M+Na-2H]- 384.22687 192.3
[M]+ 363.25165 200.2
[M]- 363.25275 200.2
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.