CID 3052314

Brn 2142965

Structural Information

Molecular Formula
C15H24N4O
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)NC(=NC)N(C)C
InChI
InChI=1S/C15H24N4O/c1-6-11-9-8-10-12(7-2)13(11)17-15(20)18-14(16-3)19(4)5/h8-10H,6-7H2,1-5H3,(H2,16,17,18,20)
InChIKey
WAPRQNZMYMCZJP-UHFFFAOYSA-N
Compound name
1-(2,6-diethylphenyl)-3-(N,N,N'-trimethylcarbamimidoyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

276.195 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.20228 170.2
[M+Na]+ 299.18422 178.2
[M+NH4]+ 294.22882 176.5
[M+K]+ 315.15816 172.8
[M-H]- 275.18772 173.8
[M+Na-2H]- 297.16967 174.9
[M]+ 276.19445 171.9
[M]- 276.19555 171.9
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

patents stripe