CID 344732

4-dimethylaminobenzoic anhydride

Structural Information

Molecular Formula
C18H20N2O3
SMILES
CN(C)C1=CC=C(C=C1)C(=O)OC(=O)C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C18H20N2O3/c1-19(2)15-9-5-13(6-10-15)17(21)23-18(22)14-7-11-16(12-8-14)20(3)4/h5-12H,1-4H3
InChIKey
KGUATYWLOBCNMI-UHFFFAOYSA-N
Compound name
[4-(dimethylamino)benzoyl] 4-(dimethylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

312.1474 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.15468 173.4
[M+Na]+ 335.13662 185.0
[M+NH4]+ 330.18122 180.2
[M+K]+ 351.11056 179.6
[M-H]- 311.14012 178.1
[M+Na-2H]- 333.12207 181.2
[M]+ 312.14685 176.2
[M]- 312.14795 176.2
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

patents stripe