CID 3050635

Urea, (bis(dimethylamino)methylene)(2-methoxy-6-methylphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C14H22N4O2
SMILES
CC1=C(C(=CC=C1)OC)NC(=O)N=C(N(C)C)N(C)C
InChI
InChI=1S/C14H22N4O2/c1-10-8-7-9-11(20-6)12(10)15-13(19)16-14(17(2)3)18(4)5/h7-9H,1-6H3,(H,15,19)
InChIKey
BJCVNGHOTWUQBM-UHFFFAOYSA-N
Compound name
1-[bis(dimethylamino)methylidene]-3-(2-methoxy-6-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1743 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18158 168.7
[M+Na]+ 301.16352 173.4
[M-H]- 277.16702 176.6
[M+NH4]+ 296.20812 185.9
[M+K]+ 317.13746 175.1
[M+H-H2O]+ 261.17156 160.2
[M+HCOO]- 323.17250 197.0
[M+CH3COO]- 337.18815 219.1
[M+Na-2H]- 299.14897 170.4
[M]+ 278.17375 172.3
[M]- 278.17485 172.3
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.