CID 3060321

Anthranilic acid, n-((diethylamino)acetyl)-, methyl ester, hydrochloride

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CCN(CC)CC(=O)NC1=CC=CC=C1C(=O)OC
InChI
InChI=1S/C14H20N2O3/c1-4-16(5-2)10-13(17)15-12-9-7-6-8-11(12)14(18)19-3/h6-9H,4-5,10H2,1-3H3,(H,15,17)
InChIKey
MPQKSPUVSGDOBQ-UHFFFAOYSA-N
Compound name
methyl 2-[[2-(diethylamino)acetyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1474 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 162.8
[M+Na]+ 287.13662 167.4
[M-H]- 263.14012 167.4
[M+NH4]+ 282.18122 179.4
[M+K]+ 303.11056 167.1
[M+H-H2O]+ 247.14466 155.2
[M+HCOO]- 309.14560 187.3
[M+CH3COO]- 323.16125 205.7
[M+Na-2H]- 285.12207 165.0
[M]+ 264.14685 166.1
[M]- 264.14795 166.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.