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]+ 308.212106 178.0
[M+Na]+ 330.194048 185.1
[M-H]- 306.197554 183.3
[M+NH4]+ 325.238653 192.2
[M+K]+ 346.167988 181.2
[M+H-H2O]+ 290.202090 168.3
[M+HCOO]- 352.203031 190.9
[M+CH3COO]- 366.218681 187.1
[M+Na-2H]- 328.179496 177.5
[M]+ 307.20428142 171.6
[M]- 307.20537858 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.