CID 9554007

2-acetyl-10-((((3-methylphenyl)methylene)hydrazino)acetyl)-10h-phenothiazine

Structural Information

Molecular Formula
C24H21N3O2S
SMILES
CC1=CC(=CC=C1)/C=N/NCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=O)C
InChI
InChI=1S/C24H21N3O2S/c1-16-6-5-7-18(12-16)14-25-26-15-24(29)27-20-8-3-4-9-22(20)30-23-11-10-19(17(2)28)13-21(23)27/h3-14,26H,15H2,1-2H3/b25-14+
InChIKey
SPILZHPRHBDDTQ-AFUMVMLFSA-N
Compound name
1-(2-acetylphenothiazin-10-yl)-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.13544 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.14272 197.3
[M+Na]+ 438.12466 203.4
[M-H]- 414.12816 204.6
[M+NH4]+ 433.16926 208.4
[M+K]+ 454.09860 196.9
[M+H-H2O]+ 398.13270 187.1
[M+HCOO]- 460.13364 212.1
[M+CH3COO]- 474.14929 205.8
[M+Na-2H]- 436.11011 200.5
[M]+ 415.13489 199.9
[M]- 415.13599 199.9
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.