CID 7164639

497915-42-1

Structural Information

Molecular Formula
C14H20IN3O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=C2)I
InChI
InChI=1S/C14H20IN3O2/c1-14(2,3)20-13(19)18-8-6-17(7-9-18)12-5-4-11(15)10-16-12/h4-5,10H,6-9H2,1-3H3
InChIKey
RJHWOWJRQNENIC-UHFFFAOYSA-N
Compound name
tert-butyl 4-(5-iodo-2-pyridinyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

389.06003 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.06731 172.0
[M+Na]+ 412.04925 170.7
[M-H]- 388.05275 166.9
[M+NH4]+ 407.09385 179.2
[M+K]+ 428.02319 174.0
[M+H-H2O]+ 372.05729 159.3
[M+HCOO]- 434.05823 181.3
[M+CH3COO]- 448.07388 206.3
[M+Na-2H]- 410.03470 163.6
[M]+ 389.05948 167.5
[M]- 389.06058 167.5
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

patents stripe