CID 6179448

Nsc689539

Structural Information

Molecular Formula
C19H22N4O
SMILES
C1CCC(CC1)NC(=O)N/N=C(\C2=CC=CC=C2)/C3=CC=CC=N3
InChI
InChI=1S/C19H22N4O/c24-19(21-16-11-5-2-6-12-16)23-22-18(15-9-3-1-4-10-15)17-13-7-8-14-20-17/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2,(H2,21,23,24)/b22-18+
InChIKey
KCJGZAKCBNMUIK-RELWKKBWSA-N
Compound name
1-cyclohexyl-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.17935 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.18663 174.5
[M+Na]+ 345.16857 175.0
[M-H]- 321.17207 182.2
[M+NH4]+ 340.21317 185.4
[M+K]+ 361.14251 171.0
[M+H-H2O]+ 305.17661 163.3
[M+HCOO]- 367.17755 196.1
[M+CH3COO]- 381.19320 214.3
[M+Na-2H]- 343.15402 179.4
[M]+ 322.17880 167.3
[M]- 322.17990 167.3
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.