CID 167936

9-diethylaminobenzo(a)phenoxyazonium nitrate

Structural Information

Molecular Formula
C20H19N2O
SMILES
CC[N+](=C1C=CC2=NC3=C(C=CC4=CC=CC=C43)OC2=C1)CC
InChI
InChI=1S/C20H19N2O/c1-3-22(4-2)15-10-11-17-19(13-15)23-18-12-9-14-7-5-6-8-16(14)20(18)21-17/h5-13H,3-4H2,1-2H3/q+1
InChIKey
IXYMKBMHKIJBCD-UHFFFAOYSA-N
Compound name
benzo[a]phenoxazin-9-ylidene(diethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

303.14975 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15703 172.6
[M+Na]+ 326.13897 182.1
[M-H]- 302.14247 179.9
[M+NH4]+ 321.18357 188.0
[M+K]+ 342.11291 172.0
[M+H-H2O]+ 286.14701 165.3
[M+HCOO]- 348.14795 193.0
[M+CH3COO]- 362.16360 205.5
[M+Na-2H]- 324.12442 185.0
[M]+ 303.14920 175.7
[M]- 303.15030 175.7
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