CID 3049630

Crl 40,258

Structural Information

Molecular Formula
C15H13N2O2S
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(=O)N[O-]
InChI
InChI=1S/C15H13N2O2S/c18-15(16-19)9-10-17-11-5-1-3-7-13(11)20-14-8-4-2-6-12(14)17/h1-8H,9-10H2,(H-,16,18,19)/q-1
InChIKey
JSOMMUCNJOPUBT-UHFFFAOYSA-N
Compound name
N-oxido-3-phenothiazin-10-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

285.06976 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07704 156.8
[M+Na]+ 308.05898 163.4
[M-H]- 284.06248 158.6
[M+NH4]+ 303.10358 172.5
[M+K]+ 324.03292 158.9
[M+H-H2O]+ 268.06702 151.4
[M+HCOO]- 330.06796 171.2
[M+CH3COO]- 344.08361 198.7
[M+Na-2H]- 306.04443 162.4
[M]+ 285.06921 156.6
[M]- 285.07031 156.6
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.