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]+ 289.191056 168.0
[M+Na]+ 311.172998 172.6
[M-H]- 287.176504 168.0
[M+NH4]+ 306.217603 190.0
[M+K]+ 327.146938 170.4
[M+H-H2O]+ 271.181040 161.3
[M+HCOO]- 333.181981 178.5
[M+CH3COO]- 347.197631 177.1
[M+Na-2H]- 309.158446 177.7
[M]+ 288.18323142 168.7
[M]- 288.18432858 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.