CID 94299

Cryptocyanine iodide

Structural Information

Molecular Formula
C25H25N2
SMILES
CCN1C=CC(=CC=CC2=CC=[N+](C3=CC=CC=C23)CC)C4=CC=CC=C41
InChI
InChI=1S/C25H25N2/c1-3-26-18-16-20(22-12-5-7-14-24(22)26)10-9-11-21-17-19-27(4-2)25-15-8-6-13-23(21)25/h5-19H,3-4H2,1-2H3/q+1
InChIKey
TVRUNVZRBXNONE-UHFFFAOYSA-N
Compound name
1-ethyl-4-[3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

14
References

2983
Patents

353.20178 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.20906 194.6
[M+Na]+ 376.19100 201.8
[M-H]- 352.19450 199.4
[M+NH4]+ 371.23560 206.3
[M+K]+ 392.16494 187.0
[M+H-H2O]+ 336.19904 185.5
[M+HCOO]- 398.19998 210.0
[M+CH3COO]- 412.21563 211.0
[M+Na-2H]- 374.17645 200.4
[M]+ 353.20123 192.6
[M]- 353.20233 192.6
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