CID 165030

Genacryl blue 3g

Structural Information

Molecular Formula
C22H30N3O2
SMILES
CCN(CC)C1=CC2=C(C(=C1)OCC)N=C3C=CC(=[N+](CC)CC)C=C3O2
InChI
InChI=1S/C22H30N3O2/c1-6-24(7-2)16-11-12-18-19(13-16)27-21-15-17(25(8-3)9-4)14-20(26-10-5)22(21)23-18/h11-15H,6-10H2,1-5H3/q+1
InChIKey
YBNZDXOMHYJNJK-UHFFFAOYSA-N
Compound name
[7-(diethylamino)-9-ethoxyphenoxazin-3-ylidene]-diethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

368.2338 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.24108 195.1
[M+Na]+ 391.22302 201.4
[M-H]- 367.22652 202.1
[M+NH4]+ 386.26762 207.5
[M+K]+ 407.19696 193.7
[M+H-H2O]+ 351.23106 187.4
[M+HCOO]- 413.23200 215.4
[M+CH3COO]- 427.24765 225.1
[M+Na-2H]- 389.20847 201.8
[M]+ 368.23325 201.1
[M]- 368.23435 201.1
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

No patent data available for this compound.