CID 3617485

72854-38-7

Structural Information

Molecular Formula
C17H20N3O
SMILES
CC[N+](=C1C=CC2=NC3=C(C=C(C(=C3)C)N)OC2=C1)CC
InChI
InChI=1S/C17H19N3O/c1-4-20(5-2)12-6-7-14-16(9-12)21-17-10-13(18)11(3)8-15(17)19-14/h6-10,18H,4-5H2,1-3H3/p+1
InChIKey
NQQCVCPUFMNZCE-UHFFFAOYSA-O
Compound name
(7-amino-8-methylphenoxazin-3-ylidene)-diethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

282.16064 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16792 167.9
[M+Na]+ 305.14986 176.8
[M-H]- 281.15336 174.1
[M+NH4]+ 300.19446 183.3
[M+K]+ 321.12380 167.8
[M+H-H2O]+ 265.15790 161.9
[M+HCOO]- 327.15884 188.9
[M+CH3COO]- 341.17449 204.2
[M+Na-2H]- 303.13531 177.2
[M]+ 282.16009 169.0
[M]- 282.16119 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

patents stripe