CID 114332

Usaf sz-4

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]+ 400.18758 189.1
[M+Na]+ 422.16952 195.2
[M-H]- 398.17302 190.9
[M+NH4]+ 417.21412 199.1
[M+K]+ 438.14346 186.8
[M+H-H2O]+ 382.17756 179.6
[M+HCOO]- 444.17850 190.9
[M+CH3COO]- 458.19415 195.8
[M+Na-2H]- 420.15497 189.1
[M]+ 399.17975 189.1
[M]- 399.18085 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.