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
3
Annotation Hits

0
References

54
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

literature stripe

Patent stripe

patents stripe