CID 3084843

Phenoxazin-5-ium, 3,7-bis(ethylamino)-2,8-dimethyl-, perchlorate

Structural Information

Molecular Formula
C18H21N3O
SMILES
CCNC1=CC2=C(C=C1C)N=C3C=C(C(=NCC)C=C3O2)C
InChI
InChI=1S/C18H21N3O/c1-5-19-13-9-17-15(7-11(13)3)21-16-8-12(4)14(20-6-2)10-18(16)22-17/h7-10,19H,5-6H2,1-4H3
InChIKey
PWLZRLVLUJPWOB-UHFFFAOYSA-N
Compound name
N-ethyl-7-ethylimino-2,8-dimethylphenoxazin-3-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

250
Patents

295.16846 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.17574 171.9
[M+Na]+ 318.15768 182.0
[M-H]- 294.16118 178.5
[M+NH4]+ 313.20228 187.8
[M+K]+ 334.13162 178.0
[M+H-H2O]+ 278.16572 162.9
[M+HCOO]- 340.16666 194.5
[M+CH3COO]- 354.18231 215.1
[M+Na-2H]- 316.14313 179.7
[M]+ 295.16791 176.5
[M]- 295.16901 176.5
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