CID 9554255

Brn 4851855

Structural Information

Molecular Formula
C21H16N4O3S
SMILES
C1=CC=C(C(=C1)/C=N/NCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)[N+](=O)[O-]
InChI
InChI=1S/C21H16N4O3S/c26-21(14-23-22-13-15-7-1-2-8-16(15)25(27)28)24-17-9-3-5-11-19(17)29-20-12-6-4-10-18(20)24/h1-13,23H,14H2/b22-13+
InChIKey
DXGQKKRFQNCEAD-LPYMAVHISA-N
Compound name
2-[(2E)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.0943 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.10158 186.4
[M+Na]+ 427.08352 190.3
[M-H]- 403.08702 193.4
[M+NH4]+ 422.12812 196.3
[M+K]+ 443.05746 180.3
[M+H-H2O]+ 387.09156 180.3
[M+HCOO]- 449.09250 203.6
[M+CH3COO]- 463.10815 222.1
[M+Na-2H]- 425.06897 195.0
[M]+ 404.09375 185.5
[M]- 404.09485 185.5
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.