CID 21156124

75113-52-9

Structural Information

Molecular Formula
C17H13N5O3S
SMILES
C1=CC=C2C(=C1)C3=C(N2CCO)C=CC(=C3)N=NC4=NC=C(S4)[N+](=O)[O-]
InChI
InChI=1S/C17H13N5O3S/c23-8-7-21-14-4-2-1-3-12(14)13-9-11(5-6-15(13)21)19-20-17-18-10-16(26-17)22(24)25/h1-6,9-10,23H,7-8H2
InChIKey
VDLTXMBMFUBIOM-UHFFFAOYSA-N
Compound name
2-[3-[(5-nitro-1,3-thiazol-2-yl)diazenyl]carbazol-9-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.0739 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.08118 178.8
[M+Na]+ 390.06312 188.5
[M-H]- 366.06662 188.2
[M+NH4]+ 385.10772 194.0
[M+K]+ 406.03706 179.5
[M+H-H2O]+ 350.07116 174.9
[M+HCOO]- 412.07210 203.1
[M+CH3COO]- 426.08775 213.7
[M+Na-2H]- 388.04857 187.1
[M]+ 367.07335 185.0
[M]- 367.07445 185.0
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.