CID 122300

4712-70-3

Structural Information

Molecular Formula
C17H20N3O
SMILES
CC[N+](=C1C=C2C(=NC3=C(O2)C=C(C=C3)N)C=C1C)CC
InChI
InChI=1S/C17H19N3O/c1-4-20(5-2)15-10-17-14(8-11(15)3)19-13-7-6-12(18)9-16(13)21-17/h6-10,18H,4-5H2,1-3H3/p+1
InChIKey
WBARPMJDSAXUDE-UHFFFAOYSA-O
Compound name
(7-amino-2-methylphenoxazin-3-ylidene)-diethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

131
References

120
Patents

282.16064 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.167916 167.9
[M+Na]+ 305.149858 176.8
[M-H]- 281.153364 174.1
[M+NH4]+ 300.194463 183.3
[M+K]+ 321.123798 167.8
[M+H-H2O]+ 265.157900 161.9
[M+HCOO]- 327.158841 188.9
[M+CH3COO]- 341.174491 204.2
[M+Na-2H]- 303.135306 177.2
[M]+ 282.16009142 169.0
[M]- 282.16118858 169.0
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.