CID 135436499

Orange astrazon r

Structural Information

Molecular Formula
C28H27N2
SMILES
CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5)C)C
InChI
InChI=1S/C28H27N2/c1-28(2)23-15-9-11-17-25(23)29(3)26(28)19-18-22-21-14-8-10-16-24(21)30(4)27(22)20-12-6-5-7-13-20/h5-19H,1-4H3/q+1
InChIKey
VEIQMIFGPISKCW-UHFFFAOYSA-N
Compound name
1,3,3-trimethyl-2-[(E)-2-(1-methyl-2-phenylindol-3-yl)ethenyl]indol-1-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

391.21744 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.22472 205.7
[M+Na]+ 414.20666 217.1
[M-H]- 390.21016 216.4
[M+NH4]+ 409.25126 222.0
[M+K]+ 430.18060 202.3
[M+H-H2O]+ 374.21470 197.7
[M+HCOO]- 436.21564 225.9
[M+CH3COO]- 450.23129 216.2
[M+Na-2H]- 412.19211 207.3
[M]+ 391.21689 208.8
[M]- 391.21799 208.8
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