CID 425276

1,3,8-triazaspiro(4,5)decane-3-carboxamide, n,n-dimethyl-4-oxo-8-(4-pentynyl)-1-phenyl-, hydrochloride

Structural Information

Molecular Formula
C21H28N4O2
SMILES
CN(C)C(=O)N1CN(C2(C1=O)CCN(CC2)CCCC#C)C3=CC=CC=C3
InChI
InChI=1S/C21H28N4O2/c1-4-5-9-14-23-15-12-21(13-16-23)19(26)24(20(27)22(2)3)17-25(21)18-10-7-6-8-11-18/h1,6-8,10-11H,5,9,12-17H2,2-3H3
InChIKey
GVRMYWRUPBKZQQ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-oxo-8-pent-4-ynyl-1-phenyl-1,3,8-triazaspiro[4.5]decane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.22122 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.22850 187.6
[M+Na]+ 391.21044 194.0
[M-H]- 367.21394 189.2
[M+NH4]+ 386.25504 197.8
[M+K]+ 407.18438 186.8
[M+H-H2O]+ 351.21848 170.6
[M+HCOO]- 413.21942 196.4
[M+CH3COO]- 427.23507 224.4
[M+Na-2H]- 389.19589 184.3
[M]+ 368.22067 178.7
[M]- 368.22177 178.7
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.