CID 312440

Karbutilate

Structural Information

Molecular Formula
C14H21N3O3
SMILES
CC(C)(C)NC(=O)OC1=CC=CC(=C1)NC(=O)N(C)C
InChI
InChI=1S/C14H21N3O3/c1-14(2,3)16-13(19)20-11-8-6-7-10(9-11)15-12(18)17(4)5/h6-9H,1-5H3,(H,15,18)(H,16,19)
InChIKey
OWNAXTAAAQTBSP-UHFFFAOYSA-N
Compound name
[3-(dimethylcarbamoylamino)phenyl] N-tert-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

3
References

7809
Patents

279.1583 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.16558 166.4
[M+Na]+ 302.14752 170.7
[M-H]- 278.15102 171.3
[M+NH4]+ 297.19212 182.3
[M+K]+ 318.12146 171.1
[M+H-H2O]+ 262.15556 159.1
[M+HCOO]- 324.15650 190.4
[M+CH3COO]- 338.17215 209.2
[M+Na-2H]- 300.13297 169.8
[M]+ 279.15775 168.1
[M]- 279.15885 168.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe