CID 3054599

71455-86-2

Structural Information

Molecular Formula
C19H19ClN2O4
SMILES
CC1=C(C(=CC=C1)C)N(CC(=O)NCC(=O)O)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H19ClN2O4/c1-12-4-3-5-13(2)18(12)22(11-16(23)21-10-17(24)25)19(26)14-6-8-15(20)9-7-14/h3-9H,10-11H2,1-2H3,(H,21,23)(H,24,25)
InChIKey
MUOLSHUSHOEPOP-UHFFFAOYSA-N
Compound name
2-[[2-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)acetyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

374.10333 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.110606 186.1
[M+Na]+ 397.092548 191.7
[M-H]- 373.096054 192.8
[M+NH4]+ 392.137153 198.2
[M+K]+ 413.066488 188.1
[M+H-H2O]+ 357.100590 178.6
[M+HCOO]- 419.101531 203.9
[M+CH3COO]- 433.117181 222.4
[M+Na-2H]- 395.077996 185.2
[M]+ 374.10278142 190.2
[M]- 374.10387858 190.2
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

patents stripe