CID 121232740

Dtxsid5048007

Structural Information

Molecular Formula
C25H32N3
SMILES
CN(C)C1C=CC(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C25H32N3/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/h7-19,22H,1-6H3/q+1
InChIKey
LQVQVCYDKDFQRF-UHFFFAOYSA-N
Compound name
[4-[[4-(dimethylamino)cyclohexa-2,5-dien-1-yl]-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.2596 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.26688 197.7
[M+Na]+ 397.24882 199.2
[M-H]- 373.25232 210.1
[M+NH4]+ 392.29342 209.6
[M+K]+ 413.22276 190.7
[M+H-H2O]+ 357.25686 189.4
[M+HCOO]- 419.25780 220.0
[M+CH3COO]- 433.27345 230.4
[M+Na-2H]- 395.23427 198.0
[M]+ 374.25905 194.4
[M]- 374.26015 194.4
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.