CID 7086

Pyronin y

Structural Information

Molecular Formula
C17H19N2O
SMILES
CN(C)C1=CC2=C(C=C1)C=C3C=CC(=[N+](C)C)C=C3O2
InChI
InChI=1S/C17H19N2O/c1-18(2)14-7-5-12-9-13-6-8-15(19(3)4)11-17(13)20-16(12)10-14/h5-11H,1-4H3/q+1
InChIKey
MTENKDNBVMPHAS-UHFFFAOYSA-N
Compound name
[6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

270
References

9631
Patents

267.14975 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.15703 162.3
[M+Na]+ 290.13897 170.3
[M-H]- 266.14247 171.5
[M+NH4]+ 285.18357 180.2
[M+K]+ 306.11291 163.3
[M+H-H2O]+ 250.14701 156.8
[M+HCOO]- 312.14795 185.7
[M+CH3COO]- 326.16360 204.4
[M+Na-2H]- 288.12442 172.3
[M]+ 267.14920 164.6
[M]- 267.15030 164.6
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