CID 44153245

72208-33-4

Structural Information

Molecular Formula
C20H23N4O
SMILES
CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)CCC#N)C=C3O2
InChI
InChI=1S/C20H23N4O/c1-4-24(5-2)16-8-10-18-20(14-16)25-19-13-15(7-9-17(19)22-18)23(3)12-6-11-21/h7-10,13-14H,4-6,12H2,1-3H3/q+1
InChIKey
UBMLSEOUHCDXHS-UHFFFAOYSA-N
Compound name
2-cyanoethyl-[7-(diethylamino)phenoxazin-3-ylidene]-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1872 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19448 186.8
[M+Na]+ 358.17642 195.6
[M-H]- 334.17992 191.6
[M+NH4]+ 353.22102 198.4
[M+K]+ 374.15036 185.2
[M+H-H2O]+ 318.18446 172.8
[M+HCOO]- 380.18540 203.8
[M+CH3COO]- 394.20105 225.5
[M+Na-2H]- 356.16187 193.6
[M]+ 335.18665 184.4
[M]- 335.18775 184.4
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.