CID 56843704

21016-34-2

Structural Information

Molecular Formula
C22H21O
SMILES
CC1CCC2=C(C1)C(=CC(=[O+]2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H21O/c1-16-12-13-21-20(14-16)19(17-8-4-2-5-9-17)15-22(23-21)18-10-6-3-7-11-18/h2-11,15-16H,12-14H2,1H3/q+1
InChIKey
KNNBKKJUHDJUOU-UHFFFAOYSA-N
Compound name
6-methyl-2,4-diphenyl-5,6,7,8-tetrahydrochromen-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

301.15924 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.16652 176.5
[M+Na]+ 324.14846 182.8
[M-H]- 300.15196 187.3
[M+NH4]+ 319.19306 190.3
[M+K]+ 340.12240 172.4
[M+H-H2O]+ 284.15650 169.4
[M+HCOO]- 346.15744 195.0
[M+CH3COO]- 360.17309 199.6
[M+Na-2H]- 322.13391 183.6
[M]+ 301.15869 173.3
[M]- 301.15979 173.3
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