CID 113921

63834-17-3

Structural Information

Molecular Formula
C21H26N2S
SMILES
CCCN1CCCC(C1)CN2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C21H26N2S/c1-2-13-22-14-7-8-17(15-22)16-23-18-9-3-5-11-20(18)24-21-12-6-4-10-19(21)23/h3-6,9-12,17H,2,7-8,13-16H2,1H3
InChIKey
OPKIXODMNDMFJU-UHFFFAOYSA-N
Compound name
10-[(1-propylpiperidin-3-yl)methyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

338.18167 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18895 179.4
[M+Na]+ 361.17089 184.7
[M-H]- 337.17439 183.1
[M+NH4]+ 356.21549 192.5
[M+K]+ 377.14483 177.6
[M+H-H2O]+ 321.17893 169.3
[M+HCOO]- 383.17987 187.7
[M+CH3COO]- 397.19552 187.5
[M+Na-2H]- 359.15634 181.3
[M]+ 338.18112 176.9
[M]- 338.18222 176.9
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

patents stripe