CID 3069195

Brn 5661740

Structural Information

Molecular Formula
C23H22N4O3S
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CNNC(=O)[C@H](CC4=CC=C(C=C4)O)N
InChI
InChI=1S/C23H22N4O3S/c24-17(13-15-9-11-16(28)12-10-15)23(30)26-25-14-22(29)27-18-5-1-3-7-20(18)31-21-8-4-2-6-19(21)27/h1-12,17,25,28H,13-14,24H2,(H,26,30)/t17-/m0/s1
InChIKey
NIWKECRHQFGUJW-KRWDZBQOSA-N
Compound name
(2S)-2-amino-3-(4-hydroxyphenyl)-N'-(2-oxo-2-phenothiazin-10-ylethyl)propanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.14127 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.14855 194.4
[M+Na]+ 457.13049 197.4
[M-H]- 433.13399 198.1
[M+NH4]+ 452.17509 202.3
[M+K]+ 473.10443 191.6
[M+H-H2O]+ 417.13853 185.2
[M+HCOO]- 479.13947 206.1
[M+CH3COO]- 493.15512 200.8
[M+Na-2H]- 455.11594 198.2
[M]+ 434.14072 193.0
[M]- 434.14182 193.0
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.