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

0
Patents

305.17798 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.18526 173.8
[M+Na]+ 328.16720 181.0
[M-H]- 304.17070 180.1
[M+NH4]+ 323.21180 193.3
[M+K]+ 344.14114 176.4
[M+H-H2O]+ 288.17524 166.1
[M+HCOO]- 350.17618 193.4
[M+CH3COO]- 364.19183 214.6
[M+Na-2H]- 326.15265 178.1
[M]+ 305.17743 175.0
[M]- 305.17853 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