CID 3052257

Urea, n'-(aminoiminomethyl)-n-butyl-n-(2,6-dimethylphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C14H22N4O
SMILES
CCCCN(C1=C(C=CC=C1C)C)C(=O)N=C(N)N
InChI
InChI=1S/C14H22N4O/c1-4-5-9-18(14(19)17-13(15)16)12-10(2)7-6-8-11(12)3/h6-8H,4-5,9H2,1-3H3,(H4,15,16,17,19)
InChIKey
QLCFXLVLICAHAR-UHFFFAOYSA-N
Compound name
1-butyl-3-(diaminomethylidene)-1-(2,6-dimethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

262.17935 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.18663 165.5
[M+Na]+ 285.16857 173.1
[M+NH4]+ 280.21317 171.6
[M+K]+ 301.14251 168.4
[M-H]- 261.17207 168.7
[M+Na-2H]- 283.15402 169.5
[M]+ 262.17880 166.9
[M]- 262.17990 166.9
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