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

54
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

literature stripe

Patent stripe

patents stripe