CID 23603

Cyheptamide

Structural Information

Molecular Formula
C16H15NO
SMILES
C1CC2=CC=CC=C2C(C3=CC=CC=C31)C(=O)N
InChI
InChI=1S/C16H15NO/c17-16(18)15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H2,17,18)
InChIKey
APBVLLORZMAWKI-UHFFFAOYSA-N
Compound name
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

405
Patents

237.11537 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.12265 150.7
[M+Na]+ 260.10459 156.8
[M-H]- 236.10809 156.8
[M+NH4]+ 255.14919 168.9
[M+K]+ 276.07853 156.5
[M+H-H2O]+ 220.11263 146.1
[M+HCOO]- 282.11357 170.6
[M+CH3COO]- 296.12922 162.4
[M+Na-2H]- 258.09004 157.0
[M]+ 237.11482 145.6
[M]- 237.11592 145.6
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