CID 47082

Bis(3-dimethylaminophenyl) carbonate dihydrochloride

Structural Information

Molecular Formula
C17H20N2O3
SMILES
CN(C)C1=CC(=CC=C1)OC(=O)OC2=CC=CC(=C2)N(C)C
InChI
InChI=1S/C17H20N2O3/c1-18(2)13-7-5-9-15(11-13)21-17(20)22-16-10-6-8-14(12-16)19(3)4/h5-12H,1-4H3
InChIKey
ZIWBVNPFNMNHSF-UHFFFAOYSA-N
Compound name
bis[3-(dimethylamino)phenyl] carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

300.1474 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.15468 170.7
[M+Na]+ 323.13662 176.2
[M-H]- 299.14012 180.2
[M+NH4]+ 318.18122 186.3
[M+K]+ 339.11056 176.2
[M+H-H2O]+ 283.14466 161.6
[M+HCOO]- 345.14560 196.9
[M+CH3COO]- 359.16125 214.9
[M+Na-2H]- 321.12207 173.7
[M]+ 300.14685 175.4
[M]- 300.14795 175.4
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