CID 3047478

Brn 0557497

Structural Information

Molecular Formula
C19H14N2O2
SMILES
CN1C2=CC=CC3=C2C(=CC=C3)N=C1C4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C19H14N2O2/c1-21-15-7-3-5-12-4-2-6-14(18(12)15)20-19(21)13-8-9-16-17(10-13)23-11-22-16/h2-10H,11H2,1H3
InChIKey
JARNXZMBXKIIGL-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-1-methylperimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.10553 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.112806 168.4
[M+Na]+ 325.094748 178.6
[M-H]- 301.098254 176.0
[M+NH4]+ 320.139353 183.0
[M+K]+ 341.068688 174.8
[M+H-H2O]+ 285.102790 158.8
[M+HCOO]- 347.103731 183.9
[M+CH3COO]- 361.119381 180.1
[M+Na-2H]- 323.080196 175.3
[M]+ 302.10498142 171.5
[M]- 302.10607858 171.5
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.