CID 9588055

1-cyclohexyl-3-((p-((4h-1,2,4-triazol-4-ylimino)methyl)phenoxy)acetyl)urea

Structural Information

Molecular Formula
C18H22N6O3
SMILES
C1CCC(CC1)NC(=O)NC(=O)COC2=CC=C(C=C2)/C=N/N3C=NN=C3
InChI
InChI=1S/C18H22N6O3/c25-17(23-18(26)22-15-4-2-1-3-5-15)11-27-16-8-6-14(7-9-16)10-21-24-12-19-20-13-24/h6-10,12-13,15H,1-5,11H2,(H2,22,23,25,26)/b21-10+
InChIKey
BCBPFWQSSGHBDQ-UFFVCSGVSA-N
Compound name
N-(cyclohexylcarbamoyl)-2-[4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.17532 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18260 185.9
[M+Na]+ 393.16454 193.4
[M+NH4]+ 388.20914 189.9
[M+K]+ 409.13848 190.5
[M-H]- 369.16804 189.2
[M+Na-2H]- 391.14999 192.1
[M]+ 370.17477 187.1
[M]- 370.17587 187.1
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.