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]+ 228.05899 146.6
[M+Na]+ 250.04093 158.3
[M-H]- 226.04443 153.3
[M+NH4]+ 245.08553 167.5
[M+K]+ 266.01487 153.2
[M+H-H2O]+ 210.04897 139.8
[M+HCOO]- 272.04991 168.7
[M+CH3COO]- 286.06556 160.7
[M+Na-2H]- 248.02638 151.1
[M]+ 227.05116 149.9
[M]- 227.05226 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.