CID 209961

20801-64-3

Structural Information

Molecular Formula
C16H17N3O2
SMILES
COC1=CC=C(C=C1)C(=O)NC(=NCC2=CC=CC=C2)N
InChI
InChI=1S/C16H17N3O2/c1-21-14-9-7-13(8-10-14)15(20)19-16(17)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H3,17,18,19,20)
InChIKey
RZEHCELQTMIYOG-UHFFFAOYSA-N
Compound name
N-(N'-benzylcarbamimidoyl)-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

283.13208 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.13936 167.6
[M+Na]+ 306.12130 178.3
[M+NH4]+ 301.16590 174.5
[M+K]+ 322.09524 171.8
[M-H]- 282.12480 172.7
[M+Na-2H]- 304.10675 175.7
[M]+ 283.13153 170.2
[M]- 283.13263 170.2
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