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 176.4
[M+Na]+ 336.20464 179.3
[M-H]- 312.20814 172.9
[M+NH4]+ 331.24924 197.9
[M+K]+ 352.17858 174.8
[M+H-H2O]+ 296.21268 167.3
[M+HCOO]- 358.21362 181.9
[M+CH3COO]- 372.22927 183.0
[M+Na-2H]- 334.19009 184.6
[M]+ 313.21487 175.5
[M]- 313.21597 175.5
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