CID 201670

6532-95-2

Structural Information

Molecular Formula
C25H32N2S
SMILES
C1CCC2(CC1)CCN(CC2)CCCN3C4=CC=CC=C4SC5=CC=CC=C53
InChI
InChI=1S/C25H32N2S/c1-6-13-25(14-7-1)15-19-26(20-16-25)17-8-18-27-21-9-2-4-11-23(21)28-24-12-5-3-10-22(24)27/h2-5,9-12H,1,6-8,13-20H2
InChIKey
VPJHDBSHOGQVHM-UHFFFAOYSA-N
Compound name
10-[3-(3-azaspiro[5.5]undecan-3-yl)propyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.2286 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.23588 193.5
[M+Na]+ 415.21782 196.0
[M-H]- 391.22132 197.5
[M+NH4]+ 410.26242 205.6
[M+K]+ 431.19176 188.2
[M+H-H2O]+ 375.22586 181.1
[M+HCOO]- 437.22680 197.5
[M+CH3COO]- 451.24245 199.1
[M+Na-2H]- 413.20327 194.9
[M]+ 392.22805 185.9
[M]- 392.22915 185.9
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.