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]+ 344.160476 181.1
[M+Na]+ 366.142418 186.2
[M-H]- 342.145924 188.7
[M+NH4]+ 361.187023 193.8
[M+K]+ 382.116358 184.5
[M+H-H2O]+ 326.150460 171.5
[M+HCOO]- 388.151401 207.2
[M+CH3COO]- 402.167051 221.3
[M+Na-2H]- 364.127866 183.2
[M]+ 343.15265142 184.2
[M]- 343.15374858 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.