CID 267541

1-(2-chloro-10h-phenothiazin-10-yl)-2-propanol

Structural Information

Molecular Formula
C15H14ClNOS
SMILES
CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)O
InChI
InChI=1S/C15H14ClNOS/c1-10(18)9-17-12-4-2-3-5-14(12)19-15-7-6-11(16)8-13(15)17/h2-8,10,18H,9H2,1H3
InChIKey
IICZXNQERLVJSM-UHFFFAOYSA-N
Compound name
1-(2-chlorophenothiazin-10-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.04846 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.05574 159.5
[M+Na]+ 314.03768 168.9
[M-H]- 290.04118 162.2
[M+NH4]+ 309.08228 177.0
[M+K]+ 330.01162 162.4
[M+H-H2O]+ 274.04572 153.8
[M+HCOO]- 336.04666 167.2
[M+CH3COO]- 350.06231 170.6
[M+Na-2H]- 312.02313 163.6
[M]+ 291.04791 162.9
[M]- 291.04901 162.9
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.