CID 16939

Basic blue 12

Structural Information

Molecular Formula
C20H20N3O
SMILES
CC[N+](=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)N)OC2=C1)CC
InChI
InChI=1S/C20H19N3O/c1-3-23(4-2)13-9-10-17-18(11-13)24-19-12-16(21)14-7-5-6-8-15(14)20(19)22-17/h5-12,21H,3-4H2,1-2H3/p+1
InChIKey
YQSIDWSTCJNDPD-UHFFFAOYSA-O
Compound name
(5-aminobenzo[a]phenoxazin-9-ylidene)-diethylazanium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

230
References

19463
Patents

318.16064 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.16792 176.6
[M+Na]+ 341.14986 186.1
[M-H]- 317.15336 183.7
[M+NH4]+ 336.19446 191.1
[M+K]+ 357.12380 175.8
[M+H-H2O]+ 301.15790 169.4
[M+HCOO]- 363.15884 197.4
[M+CH3COO]- 377.17449 211.0
[M+Na-2H]- 339.13531 188.0
[M]+ 318.16009 178.7
[M]- 318.16119 178.7
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