CID 3059239

Benzeneacetic acid, 4-(((methyl((methylamino)carbonyl)amino)carbonyl)amino)-

Structural Information

Molecular Formula
C12H15N3O4
SMILES
CNC(=O)N(C)C(=O)NC1=CC=C(C=C1)CC(=O)O
InChI
InChI=1S/C12H15N3O4/c1-13-11(18)15(2)12(19)14-9-5-3-8(4-6-9)7-10(16)17/h3-6H,7H2,1-2H3,(H,13,18)(H,14,19)(H,16,17)
InChIKey
SZCKCCNUVCSAEJ-UHFFFAOYSA-N
Compound name
2-[4-[[methyl(methylcarbamoyl)carbamoyl]amino]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

265.10626 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11354 159.8
[M+Na]+ 288.09548 164.0
[M-H]- 264.09898 163.4
[M+NH4]+ 283.14008 175.0
[M+K]+ 304.06942 164.0
[M+H-H2O]+ 248.10352 152.2
[M+HCOO]- 310.10446 183.9
[M+CH3COO]- 324.12011 203.5
[M+Na-2H]- 286.08093 161.7
[M]+ 265.10571 159.6
[M]- 265.10681 159.6
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