CID 135599679

Urea, 3-butylamidino-1-(2,6-dimethylphenyl)-, hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.17935 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.18663 163.3
[M+Na]+ 285.16857 167.8
[M-H]- 261.17207 168.0
[M+NH4]+ 280.21317 179.8
[M+K]+ 301.14251 165.5
[M+H-H2O]+ 245.17661 155.1
[M+HCOO]- 307.17755 191.3
[M+CH3COO]- 321.19320 210.6
[M+Na-2H]- 283.15402 167.8
[M]+ 262.17880 163.7
[M]- 262.17990 163.7
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.