CID 3063143

Phenothiazine-10-carboxylic acid, 4-(diethylamino)-2-butynyl ester, hydrochloride

Structural Information

Molecular Formula
C21H22N2O2S
SMILES
CCN(CC)CC#CCOC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C21H22N2O2S/c1-3-22(4-2)15-9-10-16-25-21(24)23-17-11-5-7-13-19(17)26-20-14-8-6-12-18(20)23/h5-8,11-14H,3-4,15-16H2,1-2H3
InChIKey
USTNAHDQBZLCAD-UHFFFAOYSA-N
Compound name
4-(diethylamino)but-2-ynyl phenothiazine-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.1402 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.14748 184.9
[M+Na]+ 389.12942 196.9
[M+NH4]+ 384.17402 189.6
[M+K]+ 405.10336 183.9
[M-H]- 365.13292 180.1
[M+Na-2H]- 387.11487 186.8
[M]+ 366.13965 184.9
[M]- 366.14075 184.9
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.