CID 55257

Brn 5627777

Structural Information

Molecular Formula
C17H18N4O2S
SMILES
C[C@@H](C(=O)NNCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)N
InChI
InChI=1S/C17H18N4O2S/c1-11(18)17(23)20-19-10-16(22)21-12-6-2-4-8-14(12)24-15-9-5-3-7-13(15)21/h2-9,11,19H,10,18H2,1H3,(H,20,23)/t11-/m0/s1
InChIKey
FAPLWNHTWBSOPO-NSHDSACASA-N
Compound name
(2S)-2-amino-N'-(2-oxo-2-phenothiazin-10-ylethyl)propanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.11505 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12233 174.3
[M+Na]+ 365.10427 183.4
[M+NH4]+ 360.14887 181.4
[M+K]+ 381.07821 176.2
[M-H]- 341.10777 177.3
[M+Na-2H]- 363.08972 178.7
[M]+ 342.11450 176.5
[M]- 342.11560 176.5
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.