CID 974197

712282-24-1

Structural Information

Molecular Formula
C16H13N3O
SMILES
CCNC1=C(N=C(O1)C2=CC=CC3=CC=CC=C32)C#N
InChI
InChI=1S/C16H13N3O/c1-2-18-16-14(10-17)19-15(20-16)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,18H,2H2,1H3
InChIKey
IGZOETULBZWTBX-UHFFFAOYSA-N
Compound name
5-(ethylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

4
Patents

263.10587 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.11315 163.1
[M+Na]+ 286.09509 175.3
[M-H]- 262.09859 168.4
[M+NH4]+ 281.13969 177.7
[M+K]+ 302.06903 168.8
[M+H-H2O]+ 246.10313 148.1
[M+HCOO]- 308.10407 183.5
[M+CH3COO]- 322.11972 174.2
[M+Na-2H]- 284.08054 168.9
[M]+ 263.10532 160.8
[M]- 263.10642 160.8
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