CID 213194

25680-45-9

Structural Information

Molecular Formula
C12H13N3S
SMILES
C1C(N=C(S1)N)CC2=CNC3=CC=CC=C32
InChI
InChI=1S/C12H13N3S/c13-12-15-9(7-16-12)5-8-6-14-11-4-2-1-3-10(8)11/h1-4,6,9,14H,5,7H2,(H2,13,15)
InChIKey
HPRYYZRCAOOUFJ-UHFFFAOYSA-N
Compound name
4-(1H-indol-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.08302 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09030 148.3
[M+Na]+ 254.07224 160.3
[M+NH4]+ 249.11684 157.6
[M+K]+ 270.04618 155.0
[M-H]- 230.07574 152.0
[M+Na-2H]- 252.05769 154.8
[M]+ 231.08247 151.4
[M]- 231.08357 151.4
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.