CID 3064814

1,2-benzenedicarboxamide, n-cyclohexyl-

Structural Information

Molecular Formula
C14H18N2O2
SMILES
C1CCC(CC1)NC(=O)C2=CC=CC=C2C(=O)N
InChI
InChI=1S/C14H18N2O2/c15-13(17)11-8-4-5-9-12(11)14(18)16-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H2,15,17)(H,16,18)
InChIKey
JUTPABDZLMJBGJ-UHFFFAOYSA-N
Compound name
2-N-cyclohexylbenzene-1,2-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

246.13683 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.144106 156.6
[M+Na]+ 269.126048 159.3
[M-H]- 245.129554 161.7
[M+NH4]+ 264.170653 172.2
[M+K]+ 285.099988 156.6
[M+H-H2O]+ 229.134090 148.9
[M+HCOO]- 291.135031 176.9
[M+CH3COO]- 305.150681 197.1
[M+Na-2H]- 267.111496 158.3
[M]+ 246.13628142 149.5
[M]- 246.13737858 149.5
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

patents stripe