CID 81507

Meldola blue

Structural Information

Molecular Formula
C18H15N2O
SMILES
C[N+](=C1C=CC2=NC3=C(C=CC4=CC=CC=C43)OC2=C1)C
InChI
InChI=1S/C18H15N2O/c1-20(2)13-8-9-15-17(11-13)21-16-10-7-12-5-3-4-6-14(12)18(16)19-15/h3-11H,1-2H3/q+1
InChIKey
BZAQMGZYZWMMRU-UHFFFAOYSA-N
Compound name
benzo[a]phenoxazin-9-ylidene(dimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

34
References

3838
Patents

275.11844 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12572 162.7
[M+Na]+ 298.10766 173.2
[M-H]- 274.11116 170.5
[M+NH4]+ 293.15226 179.4
[M+K]+ 314.08160 163.5
[M+H-H2O]+ 258.11570 156.0
[M+HCOO]- 320.11664 183.9
[M+CH3COO]- 334.13229 175.3
[M+Na-2H]- 296.09311 176.3
[M]+ 275.11789 165.3
[M]- 275.11899 165.3
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