CID 218570

40816-83-9

Structural Information

Molecular Formula
C17H18N3O
SMILES
C[N+]1=C2C=C(C=CC2=NC3=CC=CC=C31)N4CCOCC4
InChI
InChI=1S/C17H18N3O/c1-19-16-5-3-2-4-14(16)18-15-7-6-13(12-17(15)19)20-8-10-21-11-9-20/h2-7,12H,8-11H2,1H3/q+1
InChIKey
KVBGJHILCPUWRQ-UHFFFAOYSA-N
Compound name
4-(10-methylphenazin-10-ium-2-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

280.145 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.15228 167.8
[M+Na]+ 303.13422 176.2
[M-H]- 279.13772 172.6
[M+NH4]+ 298.17882 179.6
[M+K]+ 319.10816 165.8
[M+H-H2O]+ 263.14226 159.0
[M+HCOO]- 325.14320 182.3
[M+CH3COO]- 339.15885 177.9
[M+Na-2H]- 301.11967 178.4
[M]+ 280.14445 165.6
[M]- 280.14555 165.6
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