CID 211764

23564-80-9

Structural Information

Molecular Formula
C16H17ClN2O3
SMILES
COC1=CC(=CC(=C1OC)OC)N=C(C2=CC=CC=C2Cl)N
InChI
InChI=1S/C16H17ClN2O3/c1-20-13-8-10(9-14(21-2)15(13)22-3)19-16(18)11-6-4-5-7-12(11)17/h4-9H,1-3H3,(H2,18,19)
InChIKey
IGMASGXNMYWBOR-UHFFFAOYSA-N
Compound name
2-chloro-N'-(3,4,5-trimethoxyphenyl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

320.09277 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.10005 173.1
[M+Na]+ 343.08199 181.8
[M-H]- 319.08549 181.2
[M+NH4]+ 338.12659 188.5
[M+K]+ 359.05593 178.0
[M+H-H2O]+ 303.09003 165.5
[M+HCOO]- 365.09097 195.0
[M+CH3COO]- 379.10662 213.8
[M+Na-2H]- 341.06744 175.6
[M]+ 320.09222 179.1
[M]- 320.09332 179.1
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