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]+ 247.155336 151.8
[M+Na]+ 269.137278 158.9
[M-H]- 245.140784 160.8
[M+NH4]+ 264.181883 164.3
[M+K]+ 285.111218 155.0
[M+H-H2O]+ 229.145320 144.2
[M+HCOO]- 291.146261 180.7
[M+CH3COO]- 305.161911 208.2
[M+Na-2H]- 267.122726 157.9
[M]+ 246.14751142 153.4
[M]- 246.14860858 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.