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

3
Patents

374.10333 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.11061 186.1
[M+Na]+ 397.09255 191.7
[M-H]- 373.09605 192.8
[M+NH4]+ 392.13715 198.2
[M+K]+ 413.06649 188.1
[M+H-H2O]+ 357.10059 178.6
[M+HCOO]- 419.10153 203.9
[M+CH3COO]- 433.11718 222.4
[M+Na-2H]- 395.07800 185.2
[M]+ 374.10278 190.2
[M]- 374.10388 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