CID 368091

Benzo(g)(2)benzopyrano(4,3-b)indol-5(13h)-one, 13-(3-(dimethylamino)propyl)-, monohydrochloride

Structural Information

Molecular Formula
C24H22N2O2
SMILES
CN(C)CCCN1C2=C(C=CC3=CC=CC=C32)C4=C1C5=CC=CC=C5C(=O)O4
InChI
InChI=1S/C24H22N2O2/c1-25(2)14-7-15-26-21-17-9-4-3-8-16(17)12-13-20(21)23-22(26)18-10-5-6-11-19(18)24(27)28-23/h3-6,8-13H,7,14-15H2,1-2H3
InChIKey
RSMAEBFKDMVQPJ-UHFFFAOYSA-N
Compound name
12-[3-(dimethylamino)propyl]-3-oxa-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),5,7,9,14,16,18,20-nonaen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

370.16812 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.175396 189.8
[M+Na]+ 393.157338 201.4
[M-H]- 369.160844 198.6
[M+NH4]+ 388.201943 205.8
[M+K]+ 409.131278 195.9
[M+H-H2O]+ 353.165380 180.1
[M+HCOO]- 415.166321 211.0
[M+CH3COO]- 429.181971 201.6
[M+Na-2H]- 391.142786 196.9
[M]+ 370.16757142 198.4
[M]- 370.16866858 198.4
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