CID 6509959

10-(((1-(4-nitrophenyl)ethylidene)hydrazino)acetyl)-10h-phenothiazine

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]+ 419.11723 190.7
[M+Na]+ 441.09917 193.7
[M-H]- 417.10267 197.5
[M+NH4]+ 436.14377 199.9
[M+K]+ 457.07311 184.2
[M+H-H2O]+ 401.10721 184.6
[M+HCOO]- 463.10815 206.5
[M+CH3COO]- 477.12380 225.7
[M+Na-2H]- 439.08462 197.9
[M]+ 418.10940 189.5
[M]- 418.11050 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.