CID 3066958

80712-35-2

Structural Information

Molecular Formula
C16H22N4O4
SMILES
CN(C)C(=O)N(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C16H22N4O4/c1-17(2)15(23)18(3)16(24)20-10-8-19(9-11-20)13-6-4-12(5-7-13)14(21)22/h4-7H,8-11H2,1-3H3,(H,21,22)
InChIKey
YOOFTFYXWHMXQR-UHFFFAOYSA-N
Compound name
4-[4-[dimethylcarbamoyl(methyl)carbamoyl]piperazin-1-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

334.1641 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17138 175.8
[M+Na]+ 357.15332 183.2
[M+NH4]+ 352.19792 179.7
[M+K]+ 373.12726 181.3
[M-H]- 333.15682 176.8
[M+Na-2H]- 355.13877 179.3
[M]+ 334.16355 176.4
[M]- 334.16465 176.4
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