CID 40951

53924-79-1

Structural Information

Molecular Formula
C20H25N3
SMILES
CC1=NC2=C(N1C)CCC3=CC=CC=C3C2=C4CCN(CC4)C
InChI
InChI=1S/C20H25N3/c1-14-21-20-18(23(14)3)9-8-15-6-4-5-7-17(15)19(20)16-10-12-22(2)13-11-16/h4-7H,8-13H2,1-3H3
InChIKey
LTSBIXXGGZWKMV-UHFFFAOYSA-N
Compound name
5,6-dimethyl-2-(1-methylpiperidin-4-ylidene)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.20483 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.21211 178.0
[M+Na]+ 330.19405 185.1
[M-H]- 306.19755 183.3
[M+NH4]+ 325.23865 192.2
[M+K]+ 346.16799 181.2
[M+H-H2O]+ 290.20209 168.3
[M+HCOO]- 352.20303 190.9
[M+CH3COO]- 366.21868 187.1
[M+Na-2H]- 328.17950 177.5
[M]+ 307.20428 171.6
[M]- 307.20538 171.6
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.