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]+ 279.181576 168.7
[M+Na]+ 301.163518 173.4
[M-H]- 277.167024 176.6
[M+NH4]+ 296.208123 185.9
[M+K]+ 317.137458 175.1
[M+H-H2O]+ 261.171560 160.2
[M+HCOO]- 323.172501 197.0
[M+CH3COO]- 337.188151 219.1
[M+Na-2H]- 299.148966 170.4
[M]+ 278.17375142 172.3
[M]- 278.17484858 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.