CID 201672

10-(3-(2-azaspiro(4.6)undec-2-yl)propyl)phenothiazine hydrochloride

Structural Information

Molecular Formula
C25H32N2S
SMILES
C1CCCC2(CC1)CCN(C2)CCCC3=CC4=C(C=C3)SC5=CC=CC=C5N4
InChI
InChI=1S/C25H32N2S/c1-2-6-14-25(13-5-1)15-17-27(19-25)16-7-8-20-11-12-24-22(18-20)26-21-9-3-4-10-23(21)28-24/h3-4,9-12,18,26H,1-2,5-8,13-17,19H2
InChIKey
FURUYKTUVSHHEZ-UHFFFAOYSA-N
Compound name
2-[3-(2-azaspiro[4.6]undecan-2-yl)propyl]-10H-phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.2286 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.23588 198.9
[M+Na]+ 415.21782 201.6
[M-H]- 391.22132 204.0
[M+NH4]+ 410.26242 211.9
[M+K]+ 431.19176 195.9
[M+H-H2O]+ 375.22586 189.4
[M+HCOO]- 437.22680 204.0
[M+CH3COO]- 451.24245 204.5
[M+Na-2H]- 413.20327 196.9
[M]+ 392.22805 189.6
[M]- 392.22915 189.6
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.