CID 3063865

101732-93-8

Structural Information

Molecular Formula
C18H17ClN2OS
SMILES
CC(N1CC=CC1)(N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)O
InChI
InChI=1S/C18H17ClN2OS/c1-18(22,20-10-4-5-11-20)21-14-6-2-3-7-16(14)23-17-9-8-13(19)12-15(17)21/h2-9,12,22H,10-11H2,1H3
InChIKey
RLYUYMCBFKJMDA-UHFFFAOYSA-N
Compound name
1-(2-chlorophenothiazin-10-yl)-1-(2,5-dihydropyrrol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.075 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.082276 179.3
[M+Na]+ 367.064218 188.7
[M-H]- 343.067724 183.8
[M+NH4]+ 362.108823 194.8
[M+K]+ 383.038158 181.4
[M+H-H2O]+ 327.072260 172.4
[M+HCOO]- 389.073201 185.0
[M+CH3COO]- 403.088851 189.2
[M+Na-2H]- 365.049666 181.8
[M]+ 344.07445142 181.4
[M]- 344.07554858 181.4
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.