CID 11623393

Schembl4806387

Structural Information

Molecular Formula
C16H21N3O2
SMILES
C1CCC(CC1)CCN2C=CC3=CC(=NC=C32)C(=O)NO
InChI
InChI=1S/C16H21N3O2/c20-16(18-21)14-10-13-7-9-19(15(13)11-17-14)8-6-12-4-2-1-3-5-12/h7,9-12,21H,1-6,8H2,(H,18,20)
InChIKey
RJHLVPOAKUCKFC-UHFFFAOYSA-N
Compound name
1-(2-cyclohexylethyl)-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

287.1634 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17068 166.2
[M+Na]+ 310.15262 171.5
[M-H]- 286.15612 169.3
[M+NH4]+ 305.19722 180.6
[M+K]+ 326.12656 166.9
[M+H-H2O]+ 270.16066 157.2
[M+HCOO]- 332.16160 184.1
[M+CH3COO]- 346.17725 176.0
[M+Na-2H]- 308.13807 169.2
[M]+ 287.16285 163.4
[M]- 287.16395 163.4
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

patents stripe