CID 135403056

22394-38-3

Structural Information

Molecular Formula
C12H9N3S
SMILES
C1=CC=C2C(=C1)C(=CN2)/C=N/C3=NC=CS3
InChI
InChI=1S/C12H9N3S/c1-2-4-11-10(3-1)9(7-14-11)8-15-12-13-5-6-16-12/h1-8,14H/b15-8+
InChIKey
JUWMQHRMSUEMGG-OVCLIPMQSA-N
Compound name
(E)-1-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

227.05171 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.058986 146.6
[M+Na]+ 250.040928 158.3
[M-H]- 226.044434 153.3
[M+NH4]+ 245.085533 167.5
[M+K]+ 266.014868 153.2
[M+H-H2O]+ 210.048970 139.8
[M+HCOO]- 272.049911 168.7
[M+CH3COO]- 286.065561 160.7
[M+Na-2H]- 248.026376 151.1
[M]+ 227.05116142 149.9
[M]- 227.05225858 149.9
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

No patent data available for this compound.