CID 3024438

Brn 1170748

Structural Information

Molecular Formula
C21H26N4OS
SMILES
CN1CCN(CC1)CCNCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C21H26N4OS/c1-23-12-14-24(15-13-23)11-10-22-16-21(26)25-17-6-2-4-8-19(17)27-20-9-5-3-7-18(20)25/h2-9,22H,10-16H2,1H3
InChIKey
FHPJGQCAMTVAQI-UHFFFAOYSA-N
Compound name
2-[2-(4-methylpiperazin-1-yl)ethylamino]-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.18274 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.19002 189.2
[M+Na]+ 405.17196 201.8
[M+NH4]+ 400.21656 197.3
[M+K]+ 421.14590 191.3
[M-H]- 381.17546 193.7
[M+Na-2H]- 403.15741 194.9
[M]+ 382.18219 192.6
[M]- 382.18329 192.6
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.