CID 146154978

2416235-30-6

Structural Information

Molecular Formula
C16H24N4O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NC2=CC=CC(=C2)N
InChI
InChI=1S/C16H24N4O3/c1-16(2,3)23-15(22)20-9-7-19(8-10-20)14(21)18-13-6-4-5-12(17)11-13/h4-6,11H,7-10,17H2,1-3H3,(H,18,21)
InChIKey
SAGQSCMQFCBKNQ-UHFFFAOYSA-N
Compound name
tert-butyl 4-[(3-aminophenyl)carbamoyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.18484 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19212 177.8
[M+Na]+ 343.17406 181.1
[M-H]- 319.17756 180.6
[M+NH4]+ 338.21866 188.4
[M+K]+ 359.14800 178.9
[M+H-H2O]+ 303.18210 168.7
[M+HCOO]- 365.18304 193.5
[M+CH3COO]- 379.19869 209.9
[M+Na-2H]- 341.15951 179.2
[M]+ 320.18429 173.5
[M]- 320.18539 173.5
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.