CID 6433998

27087-81-6

Structural Information

Molecular Formula
C19H25N3
SMILES
CC1=NC\2=C(N1C)CCC3=CC=CC=C3/C2=C/CCN(C)C
InChI
InChI=1S/C19H25N3/c1-14-20-19-17(10-7-13-21(2)3)16-9-6-5-8-15(16)11-12-18(19)22(14)4/h5-6,8-10H,7,11-13H2,1-4H3/b17-10-
InChIKey
LRMUINCSPJQGJO-YVLHZVERSA-N
Compound name
(3Z)-3-(5,6-dimethyl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.20483 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.21211 172.5
[M+Na]+ 318.19405 179.8
[M-H]- 294.19755 178.0
[M+NH4]+ 313.23865 189.3
[M+K]+ 334.16799 178.4
[M+H-H2O]+ 278.20209 164.5
[M+HCOO]- 340.20303 191.4
[M+CH3COO]- 354.21868 183.3
[M+Na-2H]- 316.17950 174.4
[M]+ 295.20428 172.0
[M]- 295.20538 172.0
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.