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]+ 343.122326 173.2
[M+Na]+ 365.104268 177.6
[M-H]- 341.107774 175.6
[M+NH4]+ 360.148873 186.2
[M+K]+ 381.078208 173.1
[M+H-H2O]+ 325.112310 165.2
[M+HCOO]- 387.113251 186.9
[M+CH3COO]- 401.128901 218.1
[M+Na-2H]- 363.089716 177.4
[M]+ 342.11450142 172.3
[M]- 342.11559858 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.