CID 3838042

3-nitro-10h-phenothiazine

Structural Information

Molecular Formula
C12H8N2O2S
SMILES
C1=CC=C2C(=C1)NC3=C(S2)C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C12H8N2O2S/c15-14(16)8-5-6-10-12(7-8)17-11-4-2-1-3-9(11)13-10/h1-7,13H
InChIKey
CLXYGCPNHLXLPD-UHFFFAOYSA-N
Compound name
3-nitro-10H-phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

221
Patents

244.03065 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.03793 144.1
[M+Na]+ 267.01987 151.6
[M-H]- 243.02337 146.8
[M+NH4]+ 262.06447 161.1
[M+K]+ 282.99381 142.3
[M+H-H2O]+ 227.02791 142.0
[M+HCOO]- 289.02885 159.2
[M+CH3COO]- 303.04450 183.5
[M+Na-2H]- 265.00532 153.5
[M]+ 244.03010 141.5
[M]- 244.03120 141.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe