CID 422065

112272-97-6

Structural Information

Molecular Formula
C19H22N2S
SMILES
CCN1CCC(C1)CN2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C19H22N2S/c1-2-20-12-11-15(13-20)14-21-16-7-3-5-9-18(16)22-19-10-6-4-8-17(19)21/h3-10,15H,2,11-14H2,1H3
InChIKey
DREIJDPUZJLEMI-UHFFFAOYSA-N
Compound name
10-[(1-ethylpyrrolidin-3-yl)methyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

310.15036 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15764 172.5
[M+Na]+ 333.13958 180.2
[M-H]- 309.14308 177.6
[M+NH4]+ 328.18418 189.2
[M+K]+ 349.11352 173.7
[M+H-H2O]+ 293.14762 164.1
[M+HCOO]- 355.14856 184.0
[M+CH3COO]- 369.16421 182.6
[M+Na-2H]- 331.12503 173.2
[M]+ 310.14981 172.2
[M]- 310.15091 172.2
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

patents stripe