CID 3052295

1-[amino-[methyl(propyl)amino]methylidene]-3-(2,6-dimethylphenyl)urea

Structural Information

Molecular Formula
C14H22N4O
SMILES
CCCN(C)C(=NC(=O)NC1=C(C=CC=C1C)C)N
InChI
InChI=1S/C14H22N4O/c1-5-9-18(4)13(15)17-14(19)16-12-10(2)7-6-8-11(12)3/h6-8H,5,9H2,1-4H3,(H3,15,16,17,19)
InChIKey
BPQLPRNAOKKDTG-UHFFFAOYSA-N
Compound name
1-[amino-[methyl(propyl)amino]methylidene]-3-(2,6-dimethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

262.17935 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.18663 165.8
[M+Na]+ 285.16857 170.4
[M-H]- 261.17207 171.7
[M+NH4]+ 280.21317 182.7
[M+K]+ 301.14251 169.7
[M+H-H2O]+ 245.17661 157.7
[M+HCOO]- 307.17755 192.7
[M+CH3COO]- 321.19320 213.6
[M+Na-2H]- 283.15402 167.1
[M]+ 262.17880 165.8
[M]- 262.17990 165.8
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