CID 64525

N-(p-aminobenzoyl)-4-amino-4,8,8-trimethyl-1-azaadamantane

Structural Information

Molecular Formula
C19H27N3O
SMILES
CC1(C2CC3CN1CC(C2)C3(C)NC(=O)C4=CC=C(C=C4)N)C
InChI
InChI=1S/C19H27N3O/c1-18(2)13-8-14-10-22(18)11-15(9-13)19(14,3)21-17(23)12-4-6-16(20)7-5-12/h4-7,13-15H,8-11,20H2,1-3H3,(H,21,23)
InChIKey
MDINGIKKNPVEOR-UHFFFAOYSA-N
Compound name
4-amino-N-(4,8,8-trimethyl-1-azatricyclo[3.3.1.13,7]decan-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

313.21542 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.22270 174.8
[M+Na]+ 336.20464 184.1
[M+NH4]+ 331.24924 187.6
[M+K]+ 352.17858 172.7
[M-H]- 312.20814 175.2
[M+Na-2H]- 334.19009 174.2
[M]+ 313.21487 176.4
[M]- 313.21597 176.4
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

patents stripe