CID 19938477

Schembl32667722

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

264.1474 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.154676 162.5
[M+Na]+ 287.136618 167.5
[M-H]- 263.140124 166.0
[M+NH4]+ 282.181223 178.5
[M+K]+ 303.110558 166.4
[M+H-H2O]+ 247.144660 155.3
[M+HCOO]- 309.145601 185.4
[M+CH3COO]- 323.161251 205.1
[M+Na-2H]- 285.122066 163.5
[M]+ 264.14685142 164.3
[M]- 264.14794858 164.3
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

patents stripe