CID 5383521

Fantrine

Structural Information

Molecular Formula
C20H24N2
SMILES
CN1CC2=CC=CC=C2/C(=C\CCN(C)C)/C3=CC=CC=C31
InChI
InChI=1S/C20H24N2/c1-21(2)14-8-12-18-17-10-5-4-9-16(17)15-22(3)20-13-7-6-11-19(18)20/h4-7,9-13H,8,14-15H2,1-3H3/b18-12+
InChIKey
YFFIQHDMUUCCJP-LDADJPATSA-N
Compound name
(3E)-N,N-dimethyl-3-(5-methyl-6H-benzo[c][1]benzazepin-11-ylidene)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

192
Patents

292.19394 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.20122 169.8
[M+Na]+ 315.18316 175.8
[M-H]- 291.18666 175.9
[M+NH4]+ 310.22776 186.0
[M+K]+ 331.15710 174.9
[M+H-H2O]+ 275.19120 162.8
[M+HCOO]- 337.19214 188.9
[M+CH3COO]- 351.20779 180.5
[M+Na-2H]- 313.16861 174.7
[M]+ 292.19339 168.0
[M]- 292.19449 168.0
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

patents stripe