CID 10521

Malachite green carbinol base

Structural Information

Molecular Formula
C23H26N2O
SMILES
CN(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)N(C)C)O
InChI
InChI=1S/C23H26N2O/c1-24(2)21-14-10-19(11-15-21)23(26,18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,26H,1-4H3
InChIKey
LXHOGENDFZKPSF-UHFFFAOYSA-N
Compound name
bis[4-(dimethylamino)phenyl]-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

434
Patents

346.2045 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.21178 185.2
[M+Na]+ 369.19372 189.3
[M-H]- 345.19722 195.7
[M+NH4]+ 364.23832 197.7
[M+K]+ 385.16766 185.9
[M+H-H2O]+ 329.20176 175.3
[M+HCOO]- 391.20270 207.8
[M+CH3COO]- 405.21835 223.6
[M+Na-2H]- 367.17917 189.2
[M]+ 346.20395 185.6
[M]- 346.20505 185.6
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