CID 11851249

(2s)-3,3-dimethyl-2-(((1-methyl-1h-imidazol-2-yl)methyl)amino)-n-((1r)-1,2,2-trimethylpropyl)butanamide

Structural Information

Molecular Formula
C17H32N4O
SMILES
C[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C)NCC1=NC=CN1C
InChI
InChI=1S/C17H32N4O/c1-12(16(2,3)4)20-15(22)14(17(5,6)7)19-11-13-18-9-10-21(13)8/h9-10,12,14,19H,11H2,1-8H3,(H,20,22)/t12-,14-/m1/s1
InChIKey
QOCLPFRRAGRCEM-TZMCWYRMSA-N
Compound name
(2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethyl-2-[(1-methylimidazol-2-yl)methylamino]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

308.2576 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.26488 180.7
[M+Na]+ 331.24682 184.3
[M-H]- 307.25032 181.5
[M+NH4]+ 326.29142 194.6
[M+K]+ 347.22076 183.0
[M+H-H2O]+ 291.25486 173.4
[M+HCOO]- 353.25580 197.2
[M+CH3COO]- 367.27145 214.2
[M+Na-2H]- 329.23227 181.1
[M]+ 308.25705 181.8
[M]- 308.25815 181.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe