CID 67215

Leucomalachite green

Structural Information

Molecular Formula
C23H26N2
SMILES
CN(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C23H26N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,23H,1-4H3
InChIKey
WZKXBGJNNCGHIC-UHFFFAOYSA-N
Compound name
4-[[4-(dimethylamino)phenyl]-phenylmethyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

110
References

3049
Patents

330.2096 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.216876 183.0
[M+Na]+ 353.198818 186.9
[M-H]- 329.202324 194.6
[M+NH4]+ 348.243423 196.7
[M+K]+ 369.172758 183.5
[M+H-H2O]+ 313.206860 172.4
[M+HCOO]- 375.207801 207.4
[M+CH3COO]- 389.223451 224.4
[M+Na-2H]- 351.184266 185.2
[M]+ 330.20905142 183.6
[M]- 330.21014858 183.6
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