CID 53602

77234-69-6

Structural Information

Molecular Formula
C11H11N3O
SMILES
C1=CC(=CC=C1C(=O)CN2C=CN=C2)N
InChI
InChI=1S/C11H11N3O/c12-10-3-1-9(2-4-10)11(15)7-14-6-5-13-8-14/h1-6,8H,7,12H2
InChIKey
QRMNVYHFJCGDDI-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)-2-imidazol-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

11
Patents

201.09021 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.097486 142.9
[M+Na]+ 224.079428 150.8
[M-H]- 200.082934 146.8
[M+NH4]+ 219.124033 160.3
[M+K]+ 240.053368 147.5
[M+H-H2O]+ 184.087470 134.4
[M+HCOO]- 246.088411 166.3
[M+CH3COO]- 260.104061 185.6
[M+Na-2H]- 222.064876 147.6
[M]+ 201.08966142 141.5
[M]- 201.09075858 141.5
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