CID 134030

Albendazole amine

Structural Information

Molecular Formula
C10H13N3S
SMILES
CCCSC1=CC2=C(C=C1)N=C(N2)N
InChI
InChI=1S/C10H13N3S/c1-2-5-14-7-3-4-8-9(6-7)13-10(11)12-8/h3-4,6H,2,5H2,1H3,(H3,11,12,13)
InChIKey
RKMOQLOKJZARIG-UHFFFAOYSA-N
Compound name
6-propylsulfanyl-1H-benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

207.08302 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09030 142.3
[M+Na]+ 230.07224 153.1
[M-H]- 206.07574 143.4
[M+NH4]+ 225.11684 161.7
[M+K]+ 246.04618 147.7
[M+H-H2O]+ 190.08028 136.0
[M+HCOO]- 252.08122 160.0
[M+CH3COO]- 266.09687 155.1
[M+Na-2H]- 228.05769 146.1
[M]+ 207.08247 144.4
[M]- 207.08357 144.4
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.