CID 24834265

Cineilamina-p-aminobenzamide

Structural Information

Molecular Formula
C17H24N2O2
SMILES
CC1(C2CCC(O1)(C(C2)NC(=O)C3=CC=C(C=C3)N)C)C
InChI
InChI=1S/C17H24N2O2/c1-16(2)12-8-9-17(3,21-16)14(10-12)19-15(20)11-4-6-13(18)7-5-11/h4-7,12,14H,8-10,18H2,1-3H3,(H,19,20)
InChIKey
ABPNBETWFHGEHB-UHFFFAOYSA-N
Compound name
4-amino-N-(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.18378 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.19106 168.0
[M+Na]+ 311.17300 172.6
[M-H]- 287.17650 168.0
[M+NH4]+ 306.21760 190.0
[M+K]+ 327.14694 170.4
[M+H-H2O]+ 271.18104 161.3
[M+HCOO]- 333.18198 178.5
[M+CH3COO]- 347.19763 177.1
[M+Na-2H]- 309.15845 177.7
[M]+ 288.18323 168.7
[M]- 288.18433 168.7
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

No patent data available for this compound.