CID 214574

33492-19-2

Structural Information

Molecular Formula
C23H29N3S
SMILES
C1CCN2CCN(CC2C1)CCCN3C4=CC=CC=C4SC5=CC=CC=C53
InChI
InChI=1S/C23H29N3S/c1-3-11-22-20(9-1)26(21-10-2-4-12-23(21)27-22)15-7-13-24-16-17-25-14-6-5-8-19(25)18-24/h1-4,9-12,19H,5-8,13-18H2
InChIKey
YMIKNPHYTLBQMI-UHFFFAOYSA-N
Compound name
10-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.20822 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.21550 187.7
[M+Na]+ 402.19744 191.3
[M-H]- 378.20094 189.6
[M+NH4]+ 397.24204 198.1
[M+K]+ 418.17138 183.4
[M+H-H2O]+ 362.20548 175.9
[M+HCOO]- 424.20642 190.9
[M+CH3COO]- 438.22207 193.6
[M+Na-2H]- 400.18289 189.7
[M]+ 379.20767 182.2
[M]- 379.20877 182.2
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.