CID 114333

Usaf xr-9

Structural Information

Molecular Formula
C19H24N2S
SMILES
CCN(CC)C(C)(C)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C19H24N2S/c1-5-20(6-2)19(3,4)21-15-11-7-9-13-17(15)22-18-14-10-8-12-16(18)21/h7-14H,5-6H2,1-4H3
InChIKey
JTJURXUHFKXPOT-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-phenothiazin-10-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.16602 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.17330 173.8
[M+Na]+ 335.15524 180.3
[M-H]- 311.15874 178.2
[M+NH4]+ 330.19984 190.3
[M+K]+ 351.12918 175.7
[M+H-H2O]+ 295.16328 165.8
[M+HCOO]- 357.16422 186.7
[M+CH3COO]- 371.17987 213.9
[M+Na-2H]- 333.14069 178.8
[M]+ 312.16547 176.9
[M]- 312.16657 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