CID 3069193

Brn 5639732

Structural Information

Molecular Formula
C20H24N4O2S
SMILES
CC(C)C[C@@H](C(=O)NNCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)N
InChI
InChI=1S/C20H24N4O2S/c1-13(2)11-14(21)20(26)23-22-12-19(25)24-15-7-3-5-9-17(15)27-18-10-6-4-8-16(18)24/h3-10,13-14,22H,11-12,21H2,1-2H3,(H,23,26)/t14-/m0/s1
InChIKey
YXPUXZTVLIYMTN-AWEZNQCLSA-N
Compound name
(2S)-2-amino-4-methyl-N'-(2-oxo-2-phenothiazin-10-ylethyl)pentanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.162 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16928 186.7
[M+Na]+ 407.15122 194.8
[M+NH4]+ 402.19582 193.1
[M+K]+ 423.12516 187.8
[M-H]- 383.15472 189.4
[M+Na-2H]- 405.13667 190.1
[M]+ 384.16145 188.6
[M]- 384.16255 188.6
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.