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]+ 314.222696 179.0
[M+Na]+ 336.204638 184.2
[M-H]- 312.208144 178.4
[M+NH4]+ 331.249243 192.8
[M+K]+ 352.178578 177.7
[M+H-H2O]+ 296.212680 170.0
[M+HCOO]- 358.213621 198.8
[M+CH3COO]- 372.229271 207.8
[M+Na-2H]- 334.190086 181.6
[M]+ 313.21487142 181.5
[M]- 313.21596858 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.