CID 340996

87287-51-2

Structural Information

Molecular Formula
C18H13N5O2S
SMILES
CC1=C(N=C2N1C(=CS2)C3=CC=CC=C3)N=NC4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C18H13N5O2S/c1-12-17(21-20-14-7-9-15(10-8-14)23(24)25)19-18-22(12)16(11-26-18)13-5-3-2-4-6-13/h2-11H,1H3
InChIKey
KFYKXFZNZAHSDY-UHFFFAOYSA-N
Compound name
(5-methyl-3-phenylimidazo[2,1-b][1,3]thiazol-6-yl)-(4-nitrophenyl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.079 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.08628 181.9
[M+Na]+ 386.06822 191.2
[M-H]- 362.07172 194.6
[M+NH4]+ 381.11282 196.7
[M+K]+ 402.04216 182.1
[M+H-H2O]+ 346.07626 176.9
[M+HCOO]- 408.07720 207.4
[M+CH3COO]- 422.09285 215.5
[M+Na-2H]- 384.05367 187.7
[M]+ 363.07845 186.1
[M]- 363.07955 186.1
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.