CID 21049659

Phenoxazin-5-ium, 3-amino-7-(dimethylamino)-2,8-dimethyl-, chloride

Structural Information

Molecular Formula
C16H18N3O
SMILES
CC1=CC2=C(C=C1N)OC3=CC(=[N+](C)C)C(=CC3=N2)C
InChI
InChI=1S/C16H17N3O/c1-9-5-12-15(7-11(9)17)20-16-8-14(19(3)4)10(2)6-13(16)18-12/h5-8,17H,1-4H3/p+1
InChIKey
HFQXGOZSWPVEDK-UHFFFAOYSA-O
Compound name
(7-amino-2,8-dimethylphenoxazin-3-ylidene)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

268.145 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.15228 163.5
[M+Na]+ 291.13422 173.9
[M-H]- 267.13772 170.4
[M+NH4]+ 286.17882 179.9
[M+K]+ 307.10816 165.1
[M+H-H2O]+ 251.14226 158.0
[M+HCOO]- 313.14320 184.9
[M+CH3COO]- 327.15885 202.4
[M+Na-2H]- 289.11967 172.7
[M]+ 268.14445 164.8
[M]- 268.14555 164.8
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