CID 3050627

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

Structural Information

Molecular Formula
C14H22N4O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)N=C(N(C)C)N(C)C
InChI
InChI=1S/C14H22N4O/c1-10-8-7-9-11(2)12(10)15-13(19)16-14(17(3)4)18(5)6/h7-9H,1-6H3,(H,15,19)
InChIKey
CECJQZDLCRAARD-UHFFFAOYSA-N
Compound name
1-[bis(dimethylamino)methylidene]-3-(2,6-dimethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.17935 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.18663 165.9
[M+Na]+ 285.16857 170.7
[M-H]- 261.17207 173.8
[M+NH4]+ 280.21317 183.8
[M+K]+ 301.14251 171.8
[M+H-H2O]+ 245.17661 157.7
[M+HCOO]- 307.17755 193.9
[M+CH3COO]- 321.19320 216.9
[M+Na-2H]- 283.15402 167.5
[M]+ 262.17880 168.1
[M]- 262.17990 168.1
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.