CID 78038

3360 rp

Structural Information

Molecular Formula
C19H24N2S
SMILES
CC(C)(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C
InChI
InChI=1S/C19H24N2S/c1-19(2,13-20(3)4)14-21-15-9-5-7-11-17(15)22-18-12-8-6-10-16(18)21/h5-12H,13-14H2,1-4H3
InChIKey
KYNBTEGMZBRGSV-UHFFFAOYSA-N
Compound name
N,N,2,2-tetramethyl-3-phenothiazin-10-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.16602 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.173296 173.8
[M+Na]+ 335.155238 180.3
[M-H]- 311.158744 178.2
[M+NH4]+ 330.199843 190.3
[M+K]+ 351.129178 175.7
[M+H-H2O]+ 295.163280 165.8
[M+HCOO]- 357.164221 186.7
[M+CH3COO]- 371.179871 213.9
[M+Na-2H]- 333.140686 178.8
[M]+ 312.16547142 176.9
[M]- 312.16656858 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

No patent data available for this compound.