CID 21125260

72102-64-8

Structural Information

Molecular Formula
C26H32N3
SMILES
CCNC1=C(C=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C)C
InChI
InChI=1S/C26H31N3/c1-7-27-25-17-12-22(18-19(25)2)26(20-8-13-23(14-9-20)28(3)4)21-10-15-24(16-11-21)29(5)6/h8-18H,7H2,1-6H3/p+1
InChIKey
FCAMDCXNCBYMAO-UHFFFAOYSA-O
Compound name
[4-[[4-(dimethylamino)phenyl]-[4-(ethylamino)-3-methylphenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

386.2596 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.26688 201.9
[M+Na]+ 409.24882 204.8
[M-H]- 385.25232 213.4
[M+NH4]+ 404.29342 213.1
[M+K]+ 425.22276 194.5
[M+H-H2O]+ 369.25686 193.7
[M+HCOO]- 431.25780 224.8
[M+CH3COO]- 445.27345 230.9
[M+Na-2H]- 407.23427 202.6
[M]+ 386.25905 199.5
[M]- 386.26015 199.5
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.