CID 135599687

Urea, 1-cyclopropylamidino-3-(2,6-xylyl)-, hydrochloride

Structural Information

Molecular Formula
C13H18N4O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)N/C=N/NC2CC2
InChI
InChI=1S/C13H18N4O/c1-9-4-3-5-10(2)12(9)16-13(18)14-8-15-17-11-6-7-11/h3-5,8,11,17H,6-7H2,1-2H3,(H2,14,15,16,18)
InChIKey
PRPLTHLZJXNQKE-UHFFFAOYSA-N
Compound name
1-[(E)-(cyclopropylhydrazinylidene)methyl]-3-(2,6-dimethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.14806 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.15534 151.8
[M+Na]+ 269.13728 158.9
[M-H]- 245.14078 160.8
[M+NH4]+ 264.18188 164.3
[M+K]+ 285.11122 155.0
[M+H-H2O]+ 229.14532 144.2
[M+HCOO]- 291.14626 180.7
[M+CH3COO]- 305.16191 208.2
[M+Na-2H]- 267.12273 157.9
[M]+ 246.14751 153.4
[M]- 246.14861 153.4
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.