CID 135801619

10-(((1-(2-hydroxy-4-(phenylmethoxy)phenyl)propylidene)hydrazino)acetyl)-10h-phenothiazine

Structural Information

Molecular Formula
C30H27N3O3S
SMILES
CC/C(=N/NCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)/C4=C(C=C(C=C4)OCC5=CC=CC=C5)O
InChI
InChI=1S/C30H27N3O3S/c1-2-24(23-17-16-22(18-27(23)34)36-20-21-10-4-3-5-11-21)32-31-19-30(35)33-25-12-6-8-14-28(25)37-29-15-9-7-13-26(29)33/h3-18,31,34H,2,19-20H2,1H3/b32-24-
InChIKey
FVJOXRMCHBOKBW-TZHWMEPESA-N
Compound name
2-[(2Z)-2-[1-(2-hydroxy-4-phenylmethoxyphenyl)propylidene]hydrazinyl]-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.1773 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.18458 218.7
[M+Na]+ 532.16652 222.1
[M-H]- 508.17002 226.7
[M+NH4]+ 527.21112 224.3
[M+K]+ 548.14046 215.1
[M+H-H2O]+ 492.17456 206.8
[M+HCOO]- 554.17550 231.2
[M+CH3COO]- 568.19115 224.4
[M+Na-2H]- 530.15197 221.8
[M]+ 509.17675 220.6
[M]- 509.17785 220.6
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.