CID 12333094

52172-19-7

Structural Information

Molecular Formula
C20H24ClN3OS
SMILES
CN1CCN(CC1)CCCN2C3=C(C=C(C=C3)O)SC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C20H24ClN3OS/c1-22-9-11-23(12-10-22)7-2-8-24-17-5-4-16(25)14-20(17)26-19-6-3-15(21)13-18(19)24/h3-6,13-14,25H,2,7-12H2,1H3
InChIKey
BRUHMTGXYBUCRP-UHFFFAOYSA-N
Compound name
8-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.13287 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.14015 189.4
[M+Na]+ 412.12209 196.8
[M-H]- 388.12559 191.0
[M+NH4]+ 407.16669 199.7
[M+K]+ 428.09603 188.6
[M+H-H2O]+ 372.13013 180.0
[M+HCOO]- 434.13107 190.7
[M+CH3COO]- 448.14672 196.6
[M+Na-2H]- 410.10754 189.9
[M]+ 389.13232 189.8
[M]- 389.13342 189.8
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.