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]+ 314.222696 176.4
[M+Na]+ 336.204638 179.3
[M-H]- 312.208144 172.9
[M+NH4]+ 331.249243 197.9
[M+K]+ 352.178578 174.8
[M+H-H2O]+ 296.212680 167.3
[M+HCOO]- 358.213621 181.9
[M+CH3COO]- 372.229271 183.0
[M+Na-2H]- 334.190086 184.6
[M]+ 313.21487142 175.5
[M]- 313.21596858 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