CID 3052754

Brn 0577196

Structural Information

Molecular Formula
C19H23ClN4S
SMILES
CN1CCN(CC1)NCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C19H23ClN4S/c1-22-10-12-23(13-11-22)21-8-9-24-16-4-2-3-5-18(16)25-19-7-6-15(20)14-17(19)24/h2-7,14,21H,8-13H2,1H3
InChIKey
FCJWPLVHJGKUHJ-UHFFFAOYSA-N
Compound name
N-[2-(2-chlorophenothiazin-10-yl)ethyl]-4-methylpiperazin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1332 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.14048 184.0
[M+Na]+ 397.12242 190.8
[M-H]- 373.12592 186.6
[M+NH4]+ 392.16702 195.1
[M+K]+ 413.09636 182.8
[M+H-H2O]+ 357.13046 174.1
[M+HCOO]- 419.13140 188.0
[M+CH3COO]- 433.14705 191.6
[M+Na-2H]- 395.10787 186.7
[M]+ 374.13265 183.4
[M]- 374.13375 183.4
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.