CID 23405903

5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C11H13N3S
SMILES
CC(C)(C1=CC=CC=C1)C2=NN=C(S2)N
InChI
InChI=1S/C11H13N3S/c1-11(2,8-6-4-3-5-7-8)9-13-14-10(12)15-9/h3-7H,1-2H3,(H2,12,14)
InChIKey
PALMDNYJOLXCLN-UHFFFAOYSA-N
Compound name
5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

219.08302 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.090296 148.3
[M+Na]+ 242.072238 157.5
[M-H]- 218.075744 152.7
[M+NH4]+ 237.116843 166.2
[M+K]+ 258.046178 153.3
[M+H-H2O]+ 202.080280 141.0
[M+HCOO]- 264.081221 165.8
[M+CH3COO]- 278.096871 187.7
[M+Na-2H]- 240.057686 151.6
[M]+ 219.08247142 148.7
[M]- 219.08356858 148.7
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

patents stripe