CID 3021567

Brn 4752033

Structural Information

Molecular Formula
C14H13N3O
SMILES
C1CC(=CC2=C1C=CC(=C2)C(=O)N)N3C=CN=C3
InChI
InChI=1S/C14H13N3O/c15-14(18)11-2-1-10-3-4-13(8-12(10)7-11)17-6-5-16-9-17/h1-2,5-9H,3-4H2,(H2,15,18)
InChIKey
WDHWKRIHZFKPAB-UHFFFAOYSA-N
Compound name
7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

239.10587 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11315 153.0
[M+Na]+ 262.09509 160.9
[M-H]- 238.09859 157.7
[M+NH4]+ 257.13969 169.9
[M+K]+ 278.06903 156.3
[M+H-H2O]+ 222.10313 144.3
[M+HCOO]- 284.10407 173.8
[M+CH3COO]- 298.11972 164.8
[M+Na-2H]- 260.08054 157.4
[M]+ 239.10532 150.5
[M]- 239.10642 150.5
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

patents stripe