CID 114332

Phenothiazine, 3-(2-mercaptoethyl)-10-(3-(4-methylpiperazinyl)propyl)-, dimaleinate

Structural Information

Molecular Formula
C22H29N3S2
SMILES
CN1CCN(CC1)CCCN2C3=C(C=C(C=C3)CCS)SC4=CC=CC=C42
InChI
InChI=1S/C22H29N3S2/c1-23-12-14-24(15-13-23)10-4-11-25-19-5-2-3-6-21(19)27-22-17-18(9-16-26)7-8-20(22)25/h2-3,5-8,17,26H,4,9-16H2,1H3
InChIKey
WTCVADWLFPUUPB-UHFFFAOYSA-N
Compound name
2-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-3-yl]ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.1803 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.187576 189.1
[M+Na]+ 422.169518 195.2
[M-H]- 398.173024 190.9
[M+NH4]+ 417.214123 199.1
[M+K]+ 438.143458 186.8
[M+H-H2O]+ 382.177560 179.6
[M+HCOO]- 444.178501 190.9
[M+CH3COO]- 458.194151 195.8
[M+Na-2H]- 420.154966 189.1
[M]+ 399.17975142 189.1
[M]- 399.18084858 189.1
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.