CID 23602

Capri blue

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

0
References

610
Patents

310.19193 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.19921 177.1
[M+Na]+ 333.18115 185.1
[M-H]- 309.18465 184.8
[M+NH4]+ 328.22575 192.2
[M+K]+ 349.15509 177.4
[M+H-H2O]+ 293.18919 170.4
[M+HCOO]- 355.19013 198.5
[M+CH3COO]- 369.20578 214.1
[M+Na-2H]- 331.16660 185.5
[M]+ 310.19138 180.9
[M]- 310.19248 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