CID 102063

1255-69-2

Structural Information

Molecular Formula
C26H31N3O2
SMILES
CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=C(C=C(C=C3)N(C)C)C(=O)O
InChI
InChI=1S/C26H31N3O2/c1-27(2)20-11-7-18(8-12-20)25(19-9-13-21(14-10-19)28(3)4)23-16-15-22(29(5)6)17-24(23)26(30)31/h7-17,25H,1-6H3,(H,30,31)
InChIKey
BQGGOSXJLSPVRH-UHFFFAOYSA-N
Compound name
2-[bis[4-(dimethylamino)phenyl]methyl]-5-(dimethylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

417.24164 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.24892 205.7
[M+Na]+ 440.23086 218.0
[M+NH4]+ 435.27546 212.5
[M+K]+ 456.20480 211.4
[M-H]- 416.23436 213.9
[M+Na-2H]- 438.21631 214.9
[M]+ 417.24109 209.8
[M]- 417.24219 209.8
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