CID 69048

Leucocrystal violet

Structural Information

Molecular Formula
C25H31N3
SMILES
CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C25H31N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18,25H,1-6H3
InChIKey
OAZWDJGLIYNYMU-UHFFFAOYSA-N
Compound name
4-[bis[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

17
References

7667
Patents

373.2518 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.25908 196.3
[M+Na]+ 396.24102 199.5
[M-H]- 372.24452 209.2
[M+NH4]+ 391.28562 208.8
[M+K]+ 412.21496 197.3
[M+H-H2O]+ 356.24906 185.0
[M+HCOO]- 418.25000 221.4
[M+CH3COO]- 432.26565 239.7
[M+Na-2H]- 394.22647 196.5
[M]+ 373.25125 198.6
[M]- 373.25235 198.6
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