CID 18711204

Basic blue 75

Structural Information

Molecular Formula
C22H22N3O
SMILES
CC[N+](=C1C=CC2=NC3=C(C=C(C=C3)NC4=CC=CC=C4)OC2=C1)CC
InChI
InChI=1S/C22H21N3O/c1-3-25(4-2)18-11-13-20-22(15-18)26-21-14-17(10-12-19(21)24-20)23-16-8-6-5-7-9-16/h5-15H,3-4H2,1-2H3/p+1
InChIKey
CYKNJGHPRJNRMV-UHFFFAOYSA-O
Compound name
(7-anilinophenoxazin-3-ylidene)-diethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

344.1763 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18358 185.0
[M+Na]+ 367.16552 191.8
[M-H]- 343.16902 193.8
[M+NH4]+ 362.21012 196.9
[M+K]+ 383.13946 181.4
[M+H-H2O]+ 327.17356 176.6
[M+HCOO]- 389.17450 206.0
[M+CH3COO]- 403.19015 214.7
[M+Na-2H]- 365.15097 195.5
[M]+ 344.17575 185.5
[M]- 344.17685 185.5
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