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]+ 228.113146 149.1
[M+Na]+ 250.095088 161.4
[M-H]- 226.098594 156.3
[M+NH4]+ 245.139693 168.3
[M+K]+ 266.069028 158.1
[M+H-H2O]+ 210.103130 142.2
[M+HCOO]- 272.104071 173.8
[M+CH3COO]- 286.119721 163.6
[M+Na-2H]- 248.080536 153.4
[M]+ 227.10532142 152.9
[M]- 227.10641858 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.