CID 3063636

Phenothiazine-10-carboxylic acid, 4-(1-pyrrolidinyl)-2-butynyl ester, hydrochloride

Structural Information

Molecular Formula
C21H20N2O2S
SMILES
C1CCN(C1)CC#CCOC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C21H20N2O2S/c24-21(25-16-8-7-15-22-13-5-6-14-22)23-17-9-1-3-11-19(17)26-20-12-4-2-10-18(20)23/h1-4,9-12H,5-6,13-16H2
InChIKey
BANRNNCOHWFVNN-UHFFFAOYSA-N
Compound name
4-pyrrolidin-1-ylbut-2-ynyl phenothiazine-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.12454 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.13182 190.7
[M+Na]+ 387.11376 200.1
[M-H]- 363.11726 192.9
[M+NH4]+ 382.15836 202.8
[M+K]+ 403.08770 190.1
[M+H-H2O]+ 347.12180 176.1
[M+HCOO]- 409.12274 196.1
[M+CH3COO]- 423.13839 197.5
[M+Na-2H]- 385.09921 189.1
[M]+ 364.12399 185.4
[M]- 364.12509 185.4
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.