CID 113003

63059-62-1

Structural Information

Molecular Formula
C25H22NO
SMILES
C[N+](=C1C=CC(=C2C=C(OC(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C=C1)C
InChI
InChI=1S/C25H22NO/c1-26(2)23-15-13-19(14-16-23)22-17-24(20-9-5-3-6-10-20)27-25(18-22)21-11-7-4-8-12-21/h3-18H,1-2H3/q+1
InChIKey
LICSJNFHBXYIOL-UHFFFAOYSA-N
Compound name
[4-(2,6-diphenylpyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

352.17014 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.17742 192.7
[M+Na]+ 375.15936 197.3
[M-H]- 351.16286 206.4
[M+NH4]+ 370.20396 203.0
[M+K]+ 391.13330 186.5
[M+H-H2O]+ 335.16740 183.9
[M+HCOO]- 397.16834 213.3
[M+CH3COO]- 411.18399 211.8
[M+Na-2H]- 373.14481 197.1
[M]+ 352.16959 188.0
[M]- 352.17069 188.0
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

patents stripe