CID 70805663

Schembl12950801

Structural Information

Molecular Formula
C24H23NO4
SMILES
COC(=O)C1=C(C=C(C=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C24H23NO4/c1-28-23(26)21-14-13-20(15-22(21)24(27)29-2)25(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-15H,16-17H2,1-2H3
InChIKey
RFYVYIHKBSNRLC-UHFFFAOYSA-N
Compound name
dimethyl 4-(dibenzylamino)benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

389.16272 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.17000 195.0
[M+Na]+ 412.15194 199.0
[M-H]- 388.15544 205.3
[M+NH4]+ 407.19654 205.5
[M+K]+ 428.12588 196.3
[M+H-H2O]+ 372.15998 184.1
[M+HCOO]- 434.16092 217.7
[M+CH3COO]- 448.17657 225.3
[M+Na-2H]- 410.13739 196.0
[M]+ 389.16217 198.7
[M]- 389.16327 198.8
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