CID 169501865

Hydroxylitracen 4

Structural Information

Molecular Formula
C20H23NO
SMILES
CC1(C2=C(C(=CC=C2)O)/C(=C\CCNC)/C3=CC=CC=C31)C
InChI
InChI=1S/C20H23NO/c1-20(2)16-10-5-4-8-14(16)15(9-7-13-21-3)19-17(20)11-6-12-18(19)22/h4-6,8-12,21-22H,7,13H2,1-3H3/b15-9-
InChIKey
GBXZEBBSKVKYIX-DHDCSXOGSA-N
Compound name
(9Z)-10,10-dimethyl-9-[3-(methylamino)propylidene]anthracen-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

293.17798 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.185256 170.5
[M+Na]+ 316.167198 178.7
[M-H]- 292.170704 174.5
[M+NH4]+ 311.211803 189.7
[M+K]+ 332.141138 172.2
[M+H-H2O]+ 276.175240 163.5
[M+HCOO]- 338.176181 189.3
[M+CH3COO]- 352.191831 207.0
[M+Na-2H]- 314.152646 176.3
[M]+ 293.17743142 170.2
[M]- 293.17852858 170.2
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

No patent data available for this compound.