CID 3052316

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

Structural Information

Molecular Formula
C16H26N4O
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)N=C(N(C)C)N(C)C
InChI
InChI=1S/C16H26N4O/c1-7-12-10-9-11-13(8-2)14(12)17-15(21)18-16(19(3)4)20(5)6/h9-11H,7-8H2,1-6H3,(H,17,21)
InChIKey
OULBHJLIOINHOK-UHFFFAOYSA-N
Compound name
1-[bis(dimethylamino)methylidene]-3-(2,6-diethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.21066 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.21794 175.2
[M+Na]+ 313.19988 179.2
[M-H]- 289.20338 182.7
[M+NH4]+ 308.24448 192.0
[M+K]+ 329.17382 179.8
[M+H-H2O]+ 273.20792 166.6
[M+HCOO]- 335.20886 202.6
[M+CH3COO]- 349.22451 222.9
[M+Na-2H]- 311.18533 175.8
[M]+ 290.21011 178.2
[M]- 290.21121 178.2
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.