CID 3050631

Urea, (bis(methylamino)methylene)(2,6-diethylphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C14H22N4O
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)NC(=NC)NC
InChI
InChI=1S/C14H22N4O/c1-5-10-8-7-9-11(6-2)12(10)17-14(19)18-13(15-3)16-4/h7-9H,5-6H2,1-4H3,(H3,15,16,17,18,19)
InChIKey
IGRUNJNEFJETOG-UHFFFAOYSA-N
Compound name
1-(2,6-diethylphenyl)-3-(N,N'-dimethylcarbamimidoyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

262.17935 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.18663 165.1
[M+Na]+ 285.16857 169.6
[M-H]- 261.17207 170.0
[M+NH4]+ 280.21317 181.7
[M+K]+ 301.14251 167.8
[M+H-H2O]+ 245.17661 157.1
[M+HCOO]- 307.17755 192.1
[M+CH3COO]- 321.19320 210.2
[M+Na-2H]- 283.15402 168.2
[M]+ 262.17880 164.7
[M]- 262.17990 164.7
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