CID 18783766

193902-81-7

Structural Information

Molecular Formula
C15H22ClN3O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)N)Cl
InChI
InChI=1S/C15H22ClN3O2/c1-15(2,3)21-14(20)19-8-6-18(7-9-19)13-5-4-11(17)10-12(13)16/h4-5,10H,6-9,17H2,1-3H3
InChIKey
AHXKEIKOXAWOMF-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-amino-2-chlorophenyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

311.14005 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.14733 174.6
[M+Na]+ 334.12927 180.9
[M-H]- 310.13277 177.7
[M+NH4]+ 329.17387 187.2
[M+K]+ 350.10321 176.6
[M+H-H2O]+ 294.13731 166.6
[M+HCOO]- 356.13825 185.5
[M+CH3COO]- 370.15390 205.5
[M+Na-2H]- 332.11472 175.7
[M]+ 311.13950 173.2
[M]- 311.14060 173.2
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