CID 22507617

Tert-butyl benzyl(4-iodobutyl)carbamate

Structural Information

Molecular Formula
C16H24INO2
SMILES
CC(C)(C)OC(=O)N(CCCCI)CC1=CC=CC=C1
InChI
InChI=1S/C16H24INO2/c1-16(2,3)20-15(19)18(12-8-7-11-17)13-14-9-5-4-6-10-14/h4-6,9-10H,7-8,11-13H2,1-3H3
InChIKey
XODUGXDTYDHWBN-UHFFFAOYSA-N
Compound name
tert-butyl N-benzyl-N-(4-iodobutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

389.08517 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.09245 182.3
[M+Na]+ 412.07439 184.3
[M+NH4]+ 407.11899 184.7
[M+K]+ 428.04833 181.3
[M-H]- 388.07789 177.4
[M+Na-2H]- 410.05984 174.2
[M]+ 389.08462 180.0
[M]- 389.08572 180.0
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