CID 66509375

1361112-26-6

Structural Information

Molecular Formula
C16H22N2O4
SMILES
CC(C)(C)OC(=O)N1CCNC(C1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C16H22N2O4/c1-16(2,3)22-15(21)18-9-8-17-13(10-18)11-4-6-12(7-5-11)14(19)20/h4-7,13,17H,8-10H2,1-3H3,(H,19,20)
InChIKey
NOFZILQIQHEJAT-UHFFFAOYSA-N
Compound name
4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.15796 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.165236 173.0
[M+Na]+ 329.147178 176.9
[M-H]- 305.150684 173.5
[M+NH4]+ 324.191783 183.4
[M+K]+ 345.121118 173.9
[M+H-H2O]+ 289.155220 164.9
[M+HCOO]- 351.156161 184.3
[M+CH3COO]- 365.171811 198.8
[M+Na-2H]- 327.132626 173.6
[M]+ 306.15741142 169.0
[M]- 306.15850858 169.0
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

No patent data available for this compound.