CID 99431

73953-68-1

Structural Information

Molecular Formula
C16H25N3O3
SMILES
CC(C)(C)NC(=O)NC1=CC(=CC=C1)OC(=O)NC(C)(C)C
InChI
InChI=1S/C16H25N3O3/c1-15(2,3)18-13(20)17-11-8-7-9-12(10-11)22-14(21)19-16(4,5)6/h7-10H,1-6H3,(H,19,21)(H2,17,18,20)
InChIKey
MGBUMPMAIGRFDY-UHFFFAOYSA-N
Compound name
[3-(tert-butylcarbamoylamino)phenyl] N-tert-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1896 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.196876 174.6
[M+Na]+ 330.178818 178.3
[M-H]- 306.182324 178.0
[M+NH4]+ 325.223423 188.9
[M+K]+ 346.152758 177.6
[M+H-H2O]+ 290.186860 167.8
[M+HCOO]- 352.187801 195.8
[M+CH3COO]- 366.203451 211.7
[M+Na-2H]- 328.164266 178.9
[M]+ 307.18905142 175.2
[M]- 307.19014858 175.2
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

No patent data available for this compound.