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]+ 294.18526 170.5
[M+Na]+ 316.16720 178.7
[M-H]- 292.17070 174.5
[M+NH4]+ 311.21180 189.7
[M+K]+ 332.14114 172.2
[M+H-H2O]+ 276.17524 163.5
[M+HCOO]- 338.17618 189.3
[M+CH3COO]- 352.19183 207.0
[M+Na-2H]- 314.15265 176.3
[M]+ 293.17743 170.2
[M]- 293.17853 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.