CID 9554004

89258-07-1

Structural Information

Molecular Formula
C24H21N3O3S
SMILES
CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CN/N=C/C4=CC=C(C=C4)OC
InChI
InChI=1S/C24H21N3O3S/c1-16(28)18-9-12-23-21(13-18)27(20-5-3-4-6-22(20)31-23)24(29)15-26-25-14-17-7-10-19(30-2)11-8-17/h3-14,26H,15H2,1-2H3/b25-14+
InChIKey
IFTFTLLQHGBRPB-AFUMVMLFSA-N
Compound name
1-(2-acetylphenothiazin-10-yl)-2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.13037 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.137646 200.3
[M+Na]+ 454.119588 206.0
[M-H]- 430.123094 207.5
[M+NH4]+ 449.164193 210.5
[M+K]+ 470.093528 200.3
[M+H-H2O]+ 414.127630 189.9
[M+HCOO]- 476.128571 215.2
[M+CH3COO]- 490.144221 208.5
[M+Na-2H]- 452.105036 203.7
[M]+ 431.12982142 204.2
[M]- 431.13091858 204.2
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.