CID 65612

Oxyridazine

Structural Information

Molecular Formula
C21H26N2OS
SMILES
CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)OC
InChI
InChI=1S/C21H26N2OS/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
InChIKey
QOJDAWZHQLNKDR-UHFFFAOYSA-N
Compound name
2-methoxy-10-[2-(1-methylpiperidin-2-yl)ethyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

57
Patents

354.17657 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.183846 183.7
[M+Na]+ 377.165788 189.6
[M-H]- 353.169294 187.8
[M+NH4]+ 372.210393 196.3
[M+K]+ 393.139728 183.2
[M+H-H2O]+ 337.173830 173.7
[M+HCOO]- 399.174771 192.1
[M+CH3COO]- 413.190421 191.9
[M+Na-2H]- 375.151236 185.0
[M]+ 354.17602142 183.1
[M]- 354.17711858 183.1
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