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]+ 220.09030 148.3
[M+Na]+ 242.07224 157.5
[M-H]- 218.07574 152.7
[M+NH4]+ 237.11684 166.2
[M+K]+ 258.04618 153.3
[M+H-H2O]+ 202.08028 141.0
[M+HCOO]- 264.08122 165.8
[M+CH3COO]- 278.09687 187.7
[M+Na-2H]- 240.05769 151.6
[M]+ 219.08247 148.7
[M]- 219.08357 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