CID 82730

Litracen

Structural Information

Molecular Formula
C20H23N
SMILES
CC1(C2=CC=CC=C2C(=CCCNC)C3=CC=CC=C31)C
InChI
InChI=1S/C20H23N/c1-20(2)18-12-6-4-9-16(18)15(11-8-14-21-3)17-10-5-7-13-19(17)20/h4-7,9-13,21H,8,14H2,1-3H3
InChIKey
AUZMDLDJTGPIEA-UHFFFAOYSA-N
Compound name
3-(10,10-dimethylanthracen-9-ylidene)-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

52
Patents

277.18304 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.19032 166.9
[M+Na]+ 300.17226 174.7
[M-H]- 276.17576 172.0
[M+NH4]+ 295.21686 187.3
[M+K]+ 316.14620 168.3
[M+H-H2O]+ 260.18030 159.4
[M+HCOO]- 322.18124 187.1
[M+CH3COO]- 336.19689 178.4
[M+Na-2H]- 298.15771 173.7
[M]+ 277.18249 166.5
[M]- 277.18359 166.5
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.