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

3040
Patents

330.2096 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.21688 183.0
[M+Na]+ 353.19882 186.9
[M-H]- 329.20232 194.6
[M+NH4]+ 348.24342 196.7
[M+K]+ 369.17276 183.5
[M+H-H2O]+ 313.20686 172.4
[M+HCOO]- 375.20780 207.4
[M+CH3COO]- 389.22345 224.4
[M+Na-2H]- 351.18427 185.2
[M]+ 330.20905 183.6
[M]- 330.21015 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.