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 188.4
[M+Na]+ 405.17196 192.6
[M-H]- 381.17546 190.6
[M+NH4]+ 400.21656 197.8
[M+K]+ 421.14590 185.8
[M+H-H2O]+ 365.18000 177.7
[M+HCOO]- 427.18094 195.7
[M+CH3COO]- 441.19659 195.0
[M+Na-2H]- 403.15741 190.7
[M]+ 382.18219 186.0
[M]- 382.18329 186.0
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.