CID 3044964

Brn 1646058

Structural Information

Molecular Formula
C17H17NO2
SMILES
CC1=CC2=C(C=C1C)C3=C(C=C2)OC(=CC3=O)N(C)C
InChI
InChI=1S/C17H17NO2/c1-10-7-12-5-6-15-17(13(12)8-11(10)2)14(19)9-16(20-15)18(3)4/h5-9H,1-4H3
InChIKey
BJXBVYTYJRFUJM-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-8,9-dimethylbenzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

267.12592 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13320 159.5
[M+Na]+ 290.11514 171.4
[M-H]- 266.11864 168.5
[M+NH4]+ 285.15974 178.2
[M+K]+ 306.08908 169.0
[M+H-H2O]+ 250.12318 152.1
[M+HCOO]- 312.12412 183.5
[M+CH3COO]- 326.13977 207.9
[M+Na-2H]- 288.10059 167.4
[M]+ 267.12537 166.3
[M]- 267.12647 166.3
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