CID 21149589

Ns00060627

Structural Information

Molecular Formula
C20H23N3O
SMILES
CC(=C)N1C2=CC=CC=C2N(C1=O)CCCCC3=CC=CC=C3N
InChI
InChI=1S/C20H23N3O/c1-15(2)23-19-13-6-5-12-18(19)22(20(23)24)14-8-7-10-16-9-3-4-11-17(16)21/h3-6,9,11-13H,1,7-8,10,14,21H2,2H3
InChIKey
KXOKTXGVZWJCLC-UHFFFAOYSA-N
Compound name
1-[4-(2-aminophenyl)butyl]-3-prop-1-en-2-ylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1841 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.191376 179.0
[M+Na]+ 344.173318 188.3
[M-H]- 320.176824 184.2
[M+NH4]+ 339.217923 193.3
[M+K]+ 360.147258 181.4
[M+H-H2O]+ 304.181360 169.8
[M+HCOO]- 366.182301 200.6
[M+CH3COO]- 380.197951 212.8
[M+Na-2H]- 342.158766 180.6
[M]+ 321.18355142 181.5
[M]- 321.18464858 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.