CID 12165186

Dtxsid6072392

Structural Information

Molecular Formula
C17H21N2
SMILES
CN(C)C1=CC=C(C=C1)C=C2C=CC(=[N+](C)C)C=C2
InChI
InChI=1S/C17H21N2/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4/h5-13H,1-4H3/q+1
InChIKey
SBPUVDGMVASTBE-UHFFFAOYSA-N
Compound name
[4-[[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

253.17047 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.17775 162.1
[M+Na]+ 276.15969 167.4
[M-H]- 252.16319 171.4
[M+NH4]+ 271.20429 179.5
[M+K]+ 292.13363 159.1
[M+H-H2O]+ 236.16773 156.5
[M+HCOO]- 298.16867 187.1
[M+CH3COO]- 312.18432 200.3
[M+Na-2H]- 274.14514 167.4
[M]+ 253.16992 159.8
[M]- 253.17102 159.8
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