CID 256661

2-pyridin-3-yl-2,3-dihydro-1h-perimidine

Structural Information

Molecular Formula
C16H13N3
SMILES
C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=CN=CC=C4
InChI
InChI=1S/C16H13N3/c1-4-11-5-2-8-14-15(11)13(7-1)18-16(19-14)12-6-3-9-17-10-12/h1-10,16,18-19H
InChIKey
ZUOLBTXPELTJQQ-UHFFFAOYSA-N
Compound name
2-pyridin-3-yl-2,3-dihydro-1H-perimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

247.11095 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11823 156.6
[M+Na]+ 270.10017 164.1
[M-H]- 246.10367 157.1
[M+NH4]+ 265.14477 170.1
[M+K]+ 286.07411 156.1
[M+H-H2O]+ 230.10821 146.6
[M+HCOO]- 292.10915 169.9
[M+CH3COO]- 306.12480 166.1
[M+Na-2H]- 268.08562 165.9
[M]+ 247.11040 151.4
[M]- 247.11150 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe