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 166.0
[M+Na]+ 306.12130 170.5
[M-H]- 282.12480 173.2
[M+NH4]+ 301.16590 180.8
[M+K]+ 322.09524 167.7
[M+H-H2O]+ 266.12934 157.0
[M+HCOO]- 328.13028 192.5
[M+CH3COO]- 342.14593 208.3
[M+Na-2H]- 304.10675 170.4
[M]+ 283.13153 164.8
[M]- 283.13263 164.8
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