CID 413281

Phenoxazine, 2-chloro-10-(3-(dimethylamino)propyl)-, hydrochloride

Structural Information

Molecular Formula
C17H19ClN2O
SMILES
CN(C)CCCN1C2=CC=CC=C2OC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C17H19ClN2O/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKey
OQKOYFMUFOLCNX-UHFFFAOYSA-N
Compound name
3-(2-chlorophenoxazin-10-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1186 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12588 170.7
[M+Na]+ 325.10782 179.2
[M-H]- 301.11132 176.0
[M+NH4]+ 320.15242 186.7
[M+K]+ 341.08176 175.1
[M+H-H2O]+ 285.11586 162.4
[M+HCOO]- 347.11680 185.5
[M+CH3COO]- 361.13245 182.0
[M+Na-2H]- 323.09327 177.3
[M]+ 302.11805 175.7
[M]- 302.11915 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

literature stripe

Patent stripe

No patent data available for this compound.