CID 73522

Modr kresylova

Structural Information

Molecular Formula
C15H16N3O
SMILES
CC1=CC2=NC3=C(C=C(C=C3)N)OC2=CC1=[N+](C)C
InChI
InChI=1S/C15H15N3O/c1-9-6-12-15(8-13(9)18(2)3)19-14-7-10(16)4-5-11(14)17-12/h4-8,16H,1-3H3/p+1
InChIKey
SVTJHMHBPCHNQL-UHFFFAOYSA-O
Compound name
(7-amino-2-methylphenoxazin-3-ylidene)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

254.12933 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13661 154.6
[M+Na]+ 277.11855 172.0
[M+NH4]+ 272.16315 165.0
[M+K]+ 293.09249 165.2
[M-H]- 253.12205 162.6
[M+Na-2H]- 275.10400 162.6
[M]+ 254.12878 159.9
[M]- 254.12988 159.9
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.