CID 9588014

66762-15-0

Structural Information

Molecular Formula
C23H20N4O5S
SMILES
COC1=C(C=C(C(=C1)/C=N/NCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)[N+](=O)[O-])OC
InChI
InChI=1S/C23H20N4O5S/c1-31-19-11-15(18(27(29)30)12-20(19)32-2)13-24-25-14-23(28)26-16-7-3-5-9-21(16)33-22-10-6-4-8-17(22)26/h3-13,25H,14H2,1-2H3/b24-13+
InChIKey
QAFNNNJRFOWSIV-ZMOGYAJESA-N
Compound name
2-[(2E)-2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]hydrazinyl]-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.11545 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.122726 203.2
[M+Na]+ 487.104668 206.8
[M-H]- 463.108174 210.3
[M+NH4]+ 482.149273 210.7
[M+K]+ 503.078608 198.1
[M+H-H2O]+ 447.112710 196.4
[M+HCOO]- 509.113651 219.7
[M+CH3COO]- 523.129301 234.7
[M+Na-2H]- 485.090116 210.2
[M]+ 464.11490142 206.1
[M]- 464.11599858 206.1
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.