CID 407697

Hofmann's violet

Structural Information

Molecular Formula
C26H31N3
SMILES
CCN=C1C=CC(=C(C2=CC=C(C=C2)N)C3=CC(=C(C=C3)N(CC)CC)C)C=C1
InChI
InChI=1S/C26H31N3/c1-5-28-24-15-10-21(11-16-24)26(20-8-13-23(27)14-9-20)22-12-17-25(19(4)18-22)29(6-2)7-3/h8-18H,5-7,27H2,1-4H3
InChIKey
WEXCIENIJDEUHS-UHFFFAOYSA-N
Compound name
4-[(4-aminophenyl)-(4-ethyliminocyclohexa-2,5-dien-1-ylidene)methyl]-N,N-diethyl-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

385.2518 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.25908 200.4
[M+Na]+ 408.24102 204.1
[M-H]- 384.24452 211.3
[M+NH4]+ 403.28562 211.9
[M+K]+ 424.21496 198.4
[M+H-H2O]+ 368.24906 189.4
[M+HCOO]- 430.25000 224.2
[M+CH3COO]- 444.26565 236.8
[M+Na-2H]- 406.22647 199.2
[M]+ 385.25125 198.9
[M]- 385.25235 198.9
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.