CID 31416

Cyanine green g base

Structural Information

Molecular Formula
C28H22N2O2
SMILES
CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)C)C(=O)C5=CC=CC=C5C3=O
InChI
InChI=1S/C28H22N2O2/c1-17-7-11-19(12-8-17)29-23-15-16-24(30-20-13-9-18(2)10-14-20)26-25(23)27(31)21-5-3-4-6-22(21)28(26)32/h3-16,29-30H,1-2H3
InChIKey
TVRGPOFMYCMNRB-UHFFFAOYSA-N
Compound name
1,4-bis(4-methylanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

12
References

10361
Patents

418.16812 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.17540 202.6
[M+Na]+ 441.15734 210.5
[M-H]- 417.16084 213.9
[M+NH4]+ 436.20194 213.7
[M+K]+ 457.13128 202.8
[M+H-H2O]+ 401.16538 191.0
[M+HCOO]- 463.16632 223.4
[M+CH3COO]- 477.18197 211.8
[M+Na-2H]- 439.14279 206.5
[M]+ 418.16757 202.1
[M]- 418.16867 202.1
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