CID 3047477

Brn 0564017

Structural Information

Molecular Formula
C21H20N2O3
SMILES
CN1C2=CC=CC3=C2C(=CC=C3)N=C1C4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C21H20N2O3/c1-23-16-10-6-8-13-7-5-9-15(19(13)16)22-21(23)14-11-17(24-2)20(26-4)18(12-14)25-3/h5-12H,1-4H3
InChIKey
DNQQAYWEAQEVMG-UHFFFAOYSA-N
Compound name
1-methyl-2-(3,4,5-trimethoxyphenyl)perimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1474 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.15468 186.4
[M+Na]+ 371.13662 196.2
[M-H]- 347.14012 191.9
[M+NH4]+ 366.18122 199.3
[M+K]+ 387.11056 191.3
[M+H-H2O]+ 331.14466 175.3
[M+HCOO]- 393.14560 203.7
[M+CH3COO]- 407.16125 196.8
[M+Na-2H]- 369.12207 191.5
[M]+ 348.14685 192.8
[M]- 348.14795 192.8
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

No patent data available for this compound.