CID 3086548

1h-imidazole-1-carboximidic acid, methylenebis(2,6-dimethyl-4,1-phenylene) ester

Structural Information

Molecular Formula
C17H19N3O
SMILES
C1CN(CN1)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H19N3O/c21-17(20-12-11-18-13-20)19-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,18H,11-13H2,(H,19,21)
InChIKey
DVJNDRGFRHABBB-UHFFFAOYSA-N
Compound name
N-benzhydrylimidazolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

281.1528 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.16008 165.6
[M+Na]+ 304.14202 168.4
[M-H]- 280.14552 170.4
[M+NH4]+ 299.18662 178.3
[M+K]+ 320.11596 163.5
[M+H-H2O]+ 264.15006 155.6
[M+HCOO]- 326.15100 183.6
[M+CH3COO]- 340.16665 174.7
[M+Na-2H]- 302.12747 167.8
[M]+ 281.15225 158.9
[M]- 281.15335 158.9
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.