CID 6509959

68026-83-5

Structural Information

Molecular Formula
C22H18N4O3S
SMILES
C/C(=N/NCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)/C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C22H18N4O3S/c1-15(16-10-12-17(13-11-16)26(28)29)24-23-14-22(27)25-18-6-2-4-8-20(18)30-21-9-5-3-7-19(21)25/h2-13,23H,14H2,1H3/b24-15-
InChIKey
DWCBKJQIXBYLHV-IWIPYMOSSA-N
Compound name
2-[(2Z)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.10995 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.117226 190.7
[M+Na]+ 441.099168 193.7
[M-H]- 417.102674 197.5
[M+NH4]+ 436.143773 199.9
[M+K]+ 457.073108 184.2
[M+H-H2O]+ 401.107210 184.6
[M+HCOO]- 463.108151 206.5
[M+CH3COO]- 477.123801 225.7
[M+Na-2H]- 439.084616 197.9
[M]+ 418.10940142 189.5
[M]- 418.11049858 189.5
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.