CID 210006

(5-anilino-9h-benzo(a)phenoxazin-9-ylidene)diethylammonium, nitrate

Structural Information

Molecular Formula
C26H24N3O
SMILES
CC[N+](=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)NC5=CC=CC=C5)OC2=C1)CC
InChI
InChI=1S/C26H23N3O/c1-3-29(4-2)19-14-15-22-24(16-19)30-25-17-23(27-18-10-6-5-7-11-18)20-12-8-9-13-21(20)26(25)28-22/h5-17H,3-4H2,1-2H3/p+1
InChIKey
ZDNCMNRXKKHIBI-UHFFFAOYSA-O
Compound name
(5-anilinobenzo[a]phenoxazin-9-ylidene)-diethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.19193 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.19921 199.1
[M+Na]+ 417.18115 206.7
[M-H]- 393.18465 208.7
[M+NH4]+ 412.22575 209.7
[M+K]+ 433.15509 195.1
[M+H-H2O]+ 377.18919 189.3
[M+HCOO]- 439.19013 219.1
[M+CH3COO]- 453.20578 208.2
[M+Na-2H]- 415.16660 210.2
[M]+ 394.19138 201.0
[M]- 394.19248 201.0
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.