CID 23602

1787-57-1

Structural Information

Molecular Formula
C19H24N3O
SMILES
CC[N+](=C1C=C2C(=NC3=C(O2)C=C(C=C3)N(C)C)C=C1C)CC
InChI
InChI=1S/C19H24N3O/c1-6-22(7-2)17-12-19-16(10-13(17)3)20-15-9-8-14(21(4)5)11-18(15)23-19/h8-12H,6-7H2,1-5H3/q+1
InChIKey
DOJSVRHVOFCIJE-UHFFFAOYSA-N
Compound name
[7-(dimethylamino)-2-methylphenoxazin-3-ylidene]-diethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

302
Patents

310.19193 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.199206 177.1
[M+Na]+ 333.181148 185.1
[M-H]- 309.184654 184.8
[M+NH4]+ 328.225753 192.2
[M+K]+ 349.155088 177.4
[M+H-H2O]+ 293.189190 170.4
[M+HCOO]- 355.190131 198.5
[M+CH3COO]- 369.205781 214.1
[M+Na-2H]- 331.166596 185.5
[M]+ 310.19138142 180.9
[M]- 310.19247858 180.9
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

patents stripe