CID 64465

66148-57-0

Structural Information

Molecular Formula

C₁₅H₁₉N₃O₃

SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OC4=C(NC=N4)C(=O)N

InChI

InChI=1S/C15H19N3O3/c16-12(19)11-13(18-7-17-11)21-14(20)15-4-8-1-9(5-15)3-10(2-8)6-15/h7-10H,1-6H2,(H2,16,19)(H,17,18)

InChIKey

HKEMXZXNABJZPE-UHFFFAOYSA-N

Compound name

(5-carbamoyl-1H-imidazol-4-yl) adamantane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 289.14264 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	290.14992	162.3
[M+Na]+	312.13186	164.0
[M-H]-	288.13536	156.4
[M+NH4]+	307.17646	182.3
[M+K]+	328.10580	160.7
[M+H-H2O]+	272.13990	155.1
[M+HCOO]-	334.14084	166.3
[M+CH3COO]-	348.15649	169.0
[M+Na-2H]-	310.11731	169.1
[M]+	289.14209	161.3
[M]-	289.14319	161.3

Literature stripe

literature stripe

Patent stripe

patents stripe