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 173.2
[M+Na]+ 365.10427 177.6
[M-H]- 341.10777 175.6
[M+NH4]+ 360.14887 186.2
[M+K]+ 381.07821 173.1
[M+H-H2O]+ 325.11231 165.2
[M+HCOO]- 387.11325 186.9
[M+CH3COO]- 401.12890 218.1
[M+Na-2H]- 363.08972 177.4
[M]+ 342.11450 172.3
[M]- 342.11560 172.3
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.