CID 73517

Bindschedler's green

Structural Information

Molecular Formula
C16H20N3
SMILES
CN(C)C1=CC=C(C=C1)N=C2C=CC(=[N+](C)C)C=C2
InChI
InChI=1S/C16H20N3/c1-18(2)15-9-5-13(6-10-15)17-14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3/q+1
InChIKey
XLERXVGZMODBTM-UHFFFAOYSA-N
Compound name
[4-[4-(dimethylamino)phenyl]iminocyclohexa-2,5-dien-1-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

232
Patents

254.16573 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.17301 161.0
[M+Na]+ 277.15495 166.2
[M-H]- 253.15845 171.7
[M+NH4]+ 272.19955 178.7
[M+K]+ 293.12889 159.0
[M+H-H2O]+ 237.16299 154.8
[M+HCOO]- 299.16393 188.8
[M+CH3COO]- 313.17958 204.7
[M+Na-2H]- 275.14040 167.6
[M]+ 254.16518 159.5
[M]- 254.16628 159.5
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