CID 3069194

Brn 5653379

Structural Information

Molecular Formula
C23H22N4O2S
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)NNCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)N
InChI
InChI=1S/C23H22N4O2S/c24-17(14-16-8-2-1-3-9-16)23(29)26-25-15-22(28)27-18-10-4-6-12-20(18)30-21-13-7-5-11-19(21)27/h1-13,17,25H,14-15,24H2,(H,26,29)/t17-/m0/s1
InChIKey
UOYYGNYXYIKRTJ-KRWDZBQOSA-N
Compound name
(2S)-2-amino-N'-(2-oxo-2-phenothiazin-10-ylethyl)-3-phenylpropanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.14636 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.15364 191.7
[M+Na]+ 441.13558 194.6
[M-H]- 417.13908 196.4
[M+NH4]+ 436.18018 200.8
[M+K]+ 457.10952 188.6
[M+H-H2O]+ 401.14362 182.1
[M+HCOO]- 463.14456 204.8
[M+CH3COO]- 477.16021 198.6
[M+Na-2H]- 439.12103 196.1
[M]+ 418.14581 190.2
[M]- 418.14691 190.2
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.