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 148.1
[M+Na]+ 254.07224 158.7
[M-H]- 230.07574 152.7
[M+NH4]+ 249.11684 168.1
[M+K]+ 270.04618 153.1
[M+H-H2O]+ 214.08028 141.8
[M+HCOO]- 276.08122 166.4
[M+CH3COO]- 290.09687 161.0
[M+Na-2H]- 252.05769 149.8
[M]+ 231.08247 148.3
[M]- 231.08357 148.3
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.