CID 64718142

4-(aminomethyl)-5-phenyl-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C10H11N3S
SMILES
C1=CC=C(C=C1)C2=C(N=C(S2)N)CN
InChI
InChI=1S/C10H11N3S/c11-6-8-9(14-10(12)13-8)7-4-2-1-3-5-7/h1-5H,6,11H2,(H2,12,13)
InChIKey
XQIRKKGUTSQQHA-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-5-phenyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.06737 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.07465 141.5
[M+Na]+ 228.05659 150.7
[M-H]- 204.06009 146.9
[M+NH4]+ 223.10119 160.8
[M+K]+ 244.03053 145.9
[M+H-H2O]+ 188.06463 134.4
[M+HCOO]- 250.06557 162.4
[M+CH3COO]- 264.08122 154.7
[M+Na-2H]- 226.04204 143.7
[M]+ 205.06682 140.3
[M]- 205.06792 140.3
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.