CID 9578408

13642-30-3

Structural Information

Molecular Formula
C12H16N4O
SMILES
C1CC(/C(=N/NC(=O)N)/C1)CC2=CC=CC=N2
InChI
InChI=1S/C12H16N4O/c13-12(17)16-15-11-6-3-4-9(11)8-10-5-1-2-7-14-10/h1-2,5,7,9H,3-4,6,8H2,(H3,13,16,17)/b15-11+
InChIKey
KAAOECHPTUGGBC-RVDMUPIBSA-N
Compound name
[(E)-[2-(pyridin-2-ylmethyl)cyclopentylidene]amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.13242 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.139696 151.3
[M+Na]+ 255.121638 155.6
[M-H]- 231.125144 157.1
[M+NH4]+ 250.166243 168.6
[M+K]+ 271.095578 153.1
[M+H-H2O]+ 215.129680 142.4
[M+HCOO]- 277.130621 176.5
[M+CH3COO]- 291.146271 197.1
[M+Na-2H]- 253.107086 155.0
[M]+ 232.13187142 146.4
[M]- 232.13296858 146.4
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.