CID 3051803

10h-phenothiazine, 10-(((diphenylmethylene)hydrazino)acetyl)-

Structural Information

Molecular Formula
C27H21N3OS
SMILES
C1=CC=C(C=C1)C(=NNCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C5=CC=CC=C5
InChI
InChI=1S/C27H21N3OS/c31-26(30-22-15-7-9-17-24(22)32-25-18-10-8-16-23(25)30)19-28-29-27(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-18,28H,19H2
InChIKey
CGUYETGUYCNHIG-UHFFFAOYSA-N
Compound name
2-(2-benzhydrylidenehydrazinyl)-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.14053 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.14781 199.5
[M+Na]+ 458.12975 203.9
[M-H]- 434.13325 208.8
[M+NH4]+ 453.17435 208.7
[M+K]+ 474.10369 196.2
[M+H-H2O]+ 418.13779 188.0
[M+HCOO]- 480.13873 214.4
[M+CH3COO]- 494.15438 207.1
[M+Na-2H]- 456.11520 205.2
[M]+ 435.13998 198.8
[M]- 435.14108 198.8
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.