CID 4961864

110698-60-7

Structural Information

Molecular Formula
C11H11N3O
SMILES
CN1C=CN=C1C(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H11N3O/c1-14-7-6-13-11(14)10(15)8-2-4-9(12)5-3-8/h2-7H,12H2,1H3
InChIKey
SFKMWUTWFHTKRN-UHFFFAOYSA-N
Compound name
(4-aminophenyl)-(1-methylimidazol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

201.09021 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.09749 143.0
[M+Na]+ 224.07943 151.9
[M-H]- 200.08293 147.4
[M+NH4]+ 219.12403 160.8
[M+K]+ 240.05337 148.6
[M+H-H2O]+ 184.08747 134.9
[M+HCOO]- 246.08841 166.5
[M+CH3COO]- 260.10406 186.8
[M+Na-2H]- 222.06488 147.0
[M]+ 201.08966 142.1
[M]- 201.09076 142.1
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

No patent data available for this compound.