CID 3051176

67293-64-5

Structural Information

Molecular Formula
C21H26ClN3S
SMILES
CC(CN1CCN(CC1)C)CN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C21H26ClN3S/c1-16(14-24-11-9-23(2)10-12-24)15-25-18-5-3-4-6-20(18)26-21-8-7-17(22)13-19(21)25/h3-8,13,16H,9-12,14-15H2,1-2H3
InChIKey
VBGLIMIQXMCDGW-UHFFFAOYSA-N
Compound name
2-chloro-10-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.1536 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.16088 189.8
[M+Na]+ 410.14282 196.2
[M-H]- 386.14632 192.3
[M+NH4]+ 405.18742 200.6
[M+K]+ 426.11676 188.3
[M+H-H2O]+ 370.15086 179.8
[M+HCOO]- 432.15180 191.0
[M+CH3COO]- 446.16745 197.0
[M+Na-2H]- 408.12827 189.6
[M]+ 387.15305 189.8
[M]- 387.15415 189.8
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.