CID 16217808

N,n-di-boc-2-iodoaniline

Structural Information

Molecular Formula
C16H22INO4
SMILES
CC(C)(C)OC(=O)N(C1=CC=CC=C1I)C(=O)OC(C)(C)C
InChI
InChI=1S/C16H22INO4/c1-15(2,3)21-13(19)18(14(20)22-16(4,5)6)12-10-8-7-9-11(12)17/h7-10H,1-6H3
InChIKey
OLSDDNDJGXNWIZ-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-iodophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

419.05936 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.06664 187.8
[M+Na]+ 442.04858 186.2
[M-H]- 418.05208 185.6
[M+NH4]+ 437.09318 198.4
[M+K]+ 458.02252 192.5
[M+H-H2O]+ 402.05662 177.7
[M+HCOO]- 464.05756 202.3
[M+CH3COO]- 478.07321 216.4
[M+Na-2H]- 440.03403 177.9
[M]+ 419.05881 189.9
[M]- 419.05991 189.9
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