CID 99434

73953-76-1

Structural Information

Molecular Formula
C16H25N3O3
SMILES
CCN(CC)C(=O)NC1=CC(=CC=C1)OC(=O)NC(C)(C)C
InChI
InChI=1S/C16H25N3O3/c1-6-19(7-2)14(20)17-12-9-8-10-13(11-12)22-15(21)18-16(3,4)5/h8-11H,6-7H2,1-5H3,(H,17,20)(H,18,21)
InChIKey
HRCYVBMAOKHGQQ-UHFFFAOYSA-N
Compound name
[3-(diethylcarbamoylamino)phenyl] N-tert-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

307.1896 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.19688 175.6
[M+Na]+ 330.17882 179.1
[M-H]- 306.18232 180.1
[M+NH4]+ 325.22342 190.3
[M+K]+ 346.15276 179.0
[M+H-H2O]+ 290.18686 167.9
[M+HCOO]- 352.18780 198.9
[M+CH3COO]- 366.20345 215.2
[M+Na-2H]- 328.16427 178.0
[M]+ 307.18905 178.1
[M]- 307.19015 178.1
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