CID 294310

Nsc162374

Structural Information

Molecular Formula
C19H27N3O
SMILES
C=CCCCCCCCCC(=O)NCC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C19H27N3O/c1-2-3-4-5-6-7-8-9-14-19(23)20-15-18-21-16-12-10-11-13-17(16)22-18/h2,10-13H,1,3-9,14-15H2,(H,20,23)(H,21,22)
InChIKey
INPCZDZACIGDST-UHFFFAOYSA-N
Compound name
N-(1H-benzimidazol-2-ylmethyl)undec-10-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.21542 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.22270 179.0
[M+Na]+ 336.20464 184.2
[M-H]- 312.20814 178.4
[M+NH4]+ 331.24924 192.8
[M+K]+ 352.17858 177.7
[M+H-H2O]+ 296.21268 170.0
[M+HCOO]- 358.21362 198.8
[M+CH3COO]- 372.22927 207.8
[M+Na-2H]- 334.19009 181.6
[M]+ 313.21487 181.5
[M]- 313.21597 181.5
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

No patent data available for this compound.