CID 52395

73758-15-3

Structural Information

Molecular Formula
C18H29N3O3
SMILES
CC(C)N(C(C)C)C(=O)NC1=CC(=CC=C1)OC(=O)NC(C)(C)C
InChI
InChI=1S/C18H29N3O3/c1-12(2)21(13(3)4)16(22)19-14-9-8-10-15(11-14)24-17(23)20-18(5,6)7/h8-13H,1-7H3,(H,19,22)(H,20,23)
InChIKey
QZUHBLXFWRXMLP-UHFFFAOYSA-N
Compound name
[3-[di(propan-2-yl)carbamoylamino]phenyl] N-tert-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.2209 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.22818 184.2
[M+Na]+ 358.21012 186.4
[M-H]- 334.21362 188.6
[M+NH4]+ 353.25472 197.7
[M+K]+ 374.18406 187.2
[M+H-H2O]+ 318.21816 176.6
[M+HCOO]- 380.21910 204.9
[M+CH3COO]- 394.23475 223.1
[M+Na-2H]- 356.19557 183.4
[M]+ 335.22035 186.3
[M]- 335.22145 186.3
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.