CID 384444

Nsc674225

Structural Information

Molecular Formula
C19H19NO4S
SMILES
CN1C2=C(C=C(C=C2)CC(=O)OC)SC3=C1C=C(C=C3)CC(=O)OC
InChI
InChI=1S/C19H19NO4S/c1-20-14-6-4-13(11-19(22)24-3)9-17(14)25-16-7-5-12(8-15(16)20)10-18(21)23-2/h4-9H,10-11H2,1-3H3
InChIKey
MFIZDNSYHGUUBM-UHFFFAOYSA-N
Compound name
methyl 2-[7-(2-methoxy-2-oxoethyl)-10-methylphenothiazin-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1035 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.11078 181.1
[M+Na]+ 380.09272 188.8
[M-H]- 356.09622 184.8
[M+NH4]+ 375.13732 195.3
[M+K]+ 396.06666 185.0
[M+H-H2O]+ 340.10076 173.3
[M+HCOO]- 402.10170 193.1
[M+CH3COO]- 416.11735 214.8
[M+Na-2H]- 378.07817 182.6
[M]+ 357.10295 187.9
[M]- 357.10405 187.9
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.