CID 53084

Recainam

Structural Information

Molecular Formula
C15H25N3O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)NCCCNC(C)C
InChI
InChI=1S/C15H25N3O/c1-11(2)16-9-6-10-17-15(19)18-14-12(3)7-5-8-13(14)4/h5,7-8,11,16H,6,9-10H2,1-4H3,(H2,17,18,19)
InChIKey
WHJSFPCTWYLZRC-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenyl)-3-[3-(propan-2-ylamino)propyl]urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

28
References

340
Patents

263.19977 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.20705 166.6
[M+Na]+ 286.18899 170.5
[M-H]- 262.19249 169.8
[M+NH4]+ 281.23359 182.7
[M+K]+ 302.16293 168.2
[M+H-H2O]+ 246.19703 159.0
[M+HCOO]- 308.19797 190.6
[M+CH3COO]- 322.21362 208.3
[M+Na-2H]- 284.17444 168.4
[M]+ 263.19922 166.4
[M]- 263.20032 166.4
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