CID 24841511

Imidazolyl-methyl-phenothiazin

Structural Information

Molecular Formula
C16H13N3S
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CC4=NC=CN4
InChI
InChI=1S/C16H13N3S/c1-3-7-14-12(5-1)19(11-16-17-9-10-18-16)13-6-2-4-8-15(13)20-14/h1-10H,11H2,(H,17,18)
InChIKey
DQBQQKVKNMAHNJ-UHFFFAOYSA-N
Compound name
10-(1H-imidazol-2-ylmethyl)phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.083 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09028 160.3
[M+Na]+ 302.07222 170.4
[M-H]- 278.07572 163.8
[M+NH4]+ 297.11682 176.2
[M+K]+ 318.04616 163.0
[M+H-H2O]+ 262.08026 152.1
[M+HCOO]- 324.08120 173.1
[M+CH3COO]- 338.09685 171.3
[M+Na-2H]- 300.05767 165.0
[M]+ 279.08245 160.3
[M]- 279.08355 160.3
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.