CID 209969

20801-69-8

Structural Information

Molecular Formula
C13H19N3O
SMILES
CC(C)(C)C(=O)NC(=NCC1=CC=CC=C1)N
InChI
InChI=1S/C13H19N3O/c1-13(2,3)11(17)16-12(14)15-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H3,14,15,16,17)
InChIKey
LEVNMMKILGUTHV-UHFFFAOYSA-N
Compound name
N-(N'-benzylcarbamimidoyl)-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.15282 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.160096 156.3
[M+Na]+ 256.142038 160.6
[M-H]- 232.145544 160.5
[M+NH4]+ 251.186643 173.7
[M+K]+ 272.115978 159.0
[M+H-H2O]+ 216.150080 149.3
[M+HCOO]- 278.151021 180.6
[M+CH3COO]- 292.166671 199.8
[M+Na-2H]- 254.127486 160.9
[M]+ 233.15227142 154.2
[M]- 233.15336858 154.2
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.