CID 11380765

Tert-butyl 4-((2-aminophenyl)amino)piperidine-1-carboxylate

Structural Information

Molecular Formula
C16H25N3O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)NC2=CC=CC=C2N
InChI
InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-10-8-12(9-11-19)18-14-7-5-4-6-13(14)17/h4-7,12,18H,8-11,17H2,1-3H3
InChIKey
QAMKZPZMTWAMLU-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-aminoanilino)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

291.19467 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.201946 171.2
[M+Na]+ 314.183888 174.6
[M-H]- 290.187394 175.2
[M+NH4]+ 309.228493 184.5
[M+K]+ 330.157828 171.9
[M+H-H2O]+ 274.191930 162.9
[M+HCOO]- 336.192871 188.8
[M+CH3COO]- 350.208521 206.0
[M+Na-2H]- 312.169336 173.4
[M]+ 291.19412142 166.5
[M]- 291.19521858 166.5
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