CID 62870

Perimetazine

Structural Information

Molecular Formula
C22H28N2O2S
SMILES
CC(CN1CCC(CC1)O)CN2C3=CC=CC=C3SC4=C2C=C(C=C4)OC
InChI
InChI=1S/C22H28N2O2S/c1-16(14-23-11-9-17(25)10-12-23)15-24-19-5-3-4-6-21(19)27-22-8-7-18(26-2)13-20(22)24/h3-8,13,16-17,25H,9-12,14-15H2,1-2H3
InChIKey
WYRWAVVTDKZRIJ-UHFFFAOYSA-N
Compound name
1-[3-(2-methoxyphenothiazin-10-yl)-2-methylpropyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

328
Patents

384.18716 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.19444 190.4
[M+Na]+ 407.17638 194.7
[M-H]- 383.17988 192.9
[M+NH4]+ 402.22098 200.9
[M+K]+ 423.15032 188.6
[M+H-H2O]+ 367.18442 180.7
[M+HCOO]- 429.18536 196.0
[M+CH3COO]- 443.20101 197.2
[M+Na-2H]- 405.16183 190.4
[M]+ 384.18661 189.3
[M]- 384.18771 189.3
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.