CID 209963

20801-65-4

Structural Information

Molecular Formula
C18H21N3O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC(=NCC2=CC=CC=C2)N
InChI
InChI=1S/C18H21N3O4/c1-23-14-9-13(10-15(24-2)16(14)25-3)17(22)21-18(19)20-11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H3,19,20,21,22)
InChIKey
ZVSWKBHUCWMTEA-UHFFFAOYSA-N
Compound name
N-(N'-benzylcarbamimidoyl)-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1532 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.16048 181.1
[M+Na]+ 366.14242 186.2
[M-H]- 342.14592 188.7
[M+NH4]+ 361.18702 193.8
[M+K]+ 382.11636 184.5
[M+H-H2O]+ 326.15046 171.5
[M+HCOO]- 388.15140 207.2
[M+CH3COO]- 402.16705 221.3
[M+Na-2H]- 364.12787 183.2
[M]+ 343.15265 184.2
[M]- 343.15375 184.2
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

No patent data available for this compound.