CID 213983

2-propanone, 1-(dimethylamino)-3-(10,10-dimethyl-9(10h)-anthracenylidene)-, hydrochloride

Structural Information

Molecular Formula
C21H23NO
SMILES
CC1(C2=CC=CC=C2C(=CC(=O)CN(C)C)C3=CC=CC=C31)C
InChI
InChI=1S/C21H23NO/c1-21(2)19-11-7-5-9-16(19)18(13-15(23)14-22(3)4)17-10-6-8-12-20(17)21/h5-13H,14H2,1-4H3
InChIKey
AZCAHVZIDLHZLH-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-3-(10,10-dimethylanthracen-9-ylidene)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

305.17798 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.185256 173.8
[M+Na]+ 328.167198 181.0
[M-H]- 304.170704 180.1
[M+NH4]+ 323.211803 193.3
[M+K]+ 344.141138 176.4
[M+H-H2O]+ 288.175240 166.1
[M+HCOO]- 350.176181 193.4
[M+CH3COO]- 364.191831 214.6
[M+Na-2H]- 326.152646 178.1
[M]+ 305.17743142 175.0
[M]- 305.17852858 175.0
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