CID 210858

Nsc 33235

Structural Information

Molecular Formula
C22H26N4OS
SMILES
C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C#N)CCO
InChI
InChI=1S/C22H26N4OS/c23-17-18-6-7-22-20(16-18)26(19-4-1-2-5-21(19)28-22)9-3-8-24-10-12-25(13-11-24)14-15-27/h1-2,4-7,16,27H,3,8-15H2
InChIKey
ZPXUAIPWHIGGTI-UHFFFAOYSA-N
Compound name
10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

394.18274 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.19002 191.5
[M+Na]+ 417.17196 199.3
[M-H]- 393.17546 191.4
[M+NH4]+ 412.21656 199.2
[M+K]+ 433.14590 189.1
[M+H-H2O]+ 377.18000 175.2
[M+HCOO]- 439.18094 194.5
[M+CH3COO]- 453.19659 196.6
[M+Na-2H]- 415.15741 192.2
[M]+ 394.18219 184.8
[M]- 394.18329 184.8
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

patents stripe