CID 5378831

Astrazon orange g

Structural Information

Molecular Formula
C22H23N2
SMILES
CC1=C(C2=CC=CC=C2N1)/C=C/C3=[N+](C4=CC=CC=C4C3(C)C)C
InChI
InChI=1S/C22H22N2/c1-15-16(17-9-5-7-11-19(17)23-15)13-14-21-22(2,3)18-10-6-8-12-20(18)24(21)4/h5-14H,1-4H3/p+1
InChIKey
HGBBCDZXYIAFHO-UHFFFAOYSA-O
Compound name
1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1834
Patents

315.18613 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.19341 175.4
[M+Na]+ 338.17535 193.6
[M+NH4]+ 333.21995 187.1
[M+K]+ 354.14929 186.1
[M-H]- 314.17885 181.6
[M+Na-2H]- 336.16080 184.6
[M]+ 315.18558 180.6
[M]- 315.18668 180.6
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