CID 28293750

329004-08-2

Structural Information

Molecular Formula
C17H27N3O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CCC2=CC=C(C=C2)N
InChI
InChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-12-10-19(11-13-20)9-8-14-4-6-15(18)7-5-14/h4-7H,8-13,18H2,1-3H3
InChIKey
UUFMWTVUJADGLZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-[2-(4-aminophenyl)ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

305.21033 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.217606 177.3
[M+Na]+ 328.199548 181.1
[M-H]- 304.203054 179.7
[M+NH4]+ 323.244153 188.9
[M+K]+ 344.173488 177.9
[M+H-H2O]+ 288.207590 168.2
[M+HCOO]- 350.208531 192.1
[M+CH3COO]- 364.224181 206.6
[M+Na-2H]- 326.184996 178.5
[M]+ 305.20978142 174.1
[M]- 305.21087858 174.1
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