CID 135801620

10-(((1-(2,3,4-trihydroxyphenyl)ethylidene)hydrazino)acetyl)-10h-phenothiazine

Structural Information

Molecular Formula
C22H19N3O4S
SMILES
C/C(=N/NCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)/C4=C(C(=C(C=C4)O)O)O
InChI
InChI=1S/C22H19N3O4S/c1-13(14-10-11-17(26)22(29)21(14)28)24-23-12-20(27)25-15-6-2-4-8-18(15)30-19-9-5-3-7-16(19)25/h2-11,23,26,28-29H,12H2,1H3/b24-13-
InChIKey
GVRWIBQPXCZHKT-CFRMEGHHSA-N
Compound name
1-phenothiazin-10-yl-2-[(2Z)-2-[1-(2,3,4-trihydroxyphenyl)ethylidene]hydrazinyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.10962 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.11690 193.1
[M+Na]+ 444.09884 198.7
[M-H]- 420.10234 197.0
[M+NH4]+ 439.14344 202.0
[M+K]+ 460.07278 192.8
[M+H-H2O]+ 404.10688 184.4
[M+HCOO]- 466.10782 204.3
[M+CH3COO]- 480.12347 200.5
[M+Na-2H]- 442.08429 196.5
[M]+ 421.10907 194.0
[M]- 421.11017 194.0
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.