CID 25255

Citenamide

Structural Information

Molecular Formula
C16H13NO
SMILES
C1=CC=C2C(C3=CC=CC=C3C=CC2=C1)C(=O)N
InChI
InChI=1S/C16H13NO/c17-16(18)15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-10,15H,(H2,17,18)
InChIKey
HXQAPLNYYFQSFU-UHFFFAOYSA-N
Compound name
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

323
Patents

235.09972 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10700 150.0
[M+Na]+ 258.08894 157.1
[M-H]- 234.09244 156.5
[M+NH4]+ 253.13354 168.4
[M+K]+ 274.06288 156.8
[M+H-H2O]+ 218.09698 145.5
[M+HCOO]- 280.09792 171.3
[M+CH3COO]- 294.11357 162.3
[M+Na-2H]- 256.07439 157.3
[M]+ 235.09917 146.4
[M]- 235.10027 146.4
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