CID 3069196

Brn 5671365

Structural Information

Molecular Formula
C25H23N5O2S
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NNCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)N
InChI
InChI=1S/C25H23N5O2S/c26-18(13-16-14-27-19-8-2-1-7-17(16)19)25(32)29-28-15-24(31)30-20-9-3-5-11-22(20)33-23-12-6-4-10-21(23)30/h1-12,14,18,27-28H,13,15,26H2,(H,29,32)/t18-/m0/s1
InChIKey
LVUCRXJFUOQQGF-SFHVURJKSA-N
Compound name
(2S)-2-amino-3-(1H-indol-3-yl)-N'-(2-oxo-2-phenothiazin-10-ylethyl)propanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.15726 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.16454 201.9
[M+Na]+ 480.14648 212.8
[M+NH4]+ 475.19108 208.7
[M+K]+ 496.12042 205.9
[M-H]- 456.14998 206.9
[M+Na-2H]- 478.13193 207.8
[M]+ 457.15671 205.0
[M]- 457.15781 205.0
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.