CID 614910

21444-68-8

Structural Information

Molecular Formula
C13H13N3O
SMILES
CC1=CC=C(O1)C2=NC3=C(N2C)C=CC(=C3)N
InChI
InChI=1S/C13H13N3O/c1-8-3-6-12(17-8)13-15-10-7-9(14)4-5-11(10)16(13)2/h3-7H,14H2,1-2H3
InChIKey
ZJGUHSOEWQNPHF-UHFFFAOYSA-N
Compound name
1-methyl-2-(5-methylfuran-2-yl)benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.10587 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.11315 149.1
[M+Na]+ 250.09509 161.4
[M-H]- 226.09859 156.3
[M+NH4]+ 245.13969 168.3
[M+K]+ 266.06903 158.1
[M+H-H2O]+ 210.10313 142.2
[M+HCOO]- 272.10407 173.8
[M+CH3COO]- 286.11972 163.6
[M+Na-2H]- 248.08054 153.4
[M]+ 227.10532 152.9
[M]- 227.10642 152.9
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.