CID 3086315

Dimethyl (1,3-phenylenebis(1-methylethylidene))biscarbamate

Structural Information

Molecular Formula
C16H24N2O4
SMILES
CC(C)(C1=CC(=CC=C1)C(C)(C)NC(=O)OC)NC(=O)OC
InChI
InChI=1S/C16H24N2O4/c1-15(2,17-13(19)21-5)11-8-7-9-12(10-11)16(3,4)18-14(20)22-6/h7-10H,1-6H3,(H,17,19)(H,18,20)
InChIKey
SDGWUDZXWBPSGI-UHFFFAOYSA-N
Compound name
methyl N-[2-[3-[2-(methoxycarbonylamino)propan-2-yl]phenyl]propan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

308.1736 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.180876 173.0
[M+Na]+ 331.162818 177.4
[M-H]- 307.166324 176.4
[M+NH4]+ 326.207423 187.4
[M+K]+ 347.136758 177.1
[M+H-H2O]+ 291.170860 166.4
[M+HCOO]- 353.171801 193.4
[M+CH3COO]- 367.187451 209.9
[M+Na-2H]- 329.148266 177.2
[M]+ 308.17305142 176.1
[M]- 308.17414858 176.1
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