CID 164877

Methyl violet b base

Structural Information

Molecular Formula
C24H27N3
SMILES
CN=C1C=CC(=C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C=C1
InChI
InChI=1S/C24H27N3/c1-25-21-12-6-18(7-13-21)24(19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5/h6-17H,1-5H3
InChIKey
AMPCGOAFZFKBGH-UHFFFAOYSA-N
Compound name
4-[[4-(dimethylamino)phenyl]-(4-methyliminocyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2921
References

4872
Patents

357.2205 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.22778 191.7
[M+Na]+ 380.20972 205.6
[M+NH4]+ 375.25432 200.4
[M+K]+ 396.18366 196.2
[M-H]- 356.21322 201.4
[M+Na-2H]- 378.19517 202.8
[M]+ 357.21995 196.5
[M]- 357.22105 196.5
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