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]+ 385.169276 186.5
[M+Na]+ 407.151218 189.1
[M-H]- 383.154724 188.3
[M+NH4]+ 402.195823 197.6
[M+K]+ 423.125158 184.7
[M+H-H2O]+ 367.159260 178.2
[M+HCOO]- 429.160201 198.1
[M+CH3COO]- 443.175851 227.8
[M+Na-2H]- 405.136666 188.3
[M]+ 384.16145142 186.0
[M]- 384.16254858 186.0
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.