CID 32247

2h-(1)benzothiopyrano(4,3,2-cd)indazole, 2-(2-(diethylamino)ethyl)-5-methyl-

Structural Information

Molecular Formula
C20H23N3S
SMILES
CCN(CC)CCN1C2=C3C(=C(C=C2)C)SC4=CC=CC=C4C3=N1
InChI
InChI=1S/C20H23N3S/c1-4-22(5-2)12-13-23-16-11-10-14(3)20-18(16)19(21-23)15-8-6-7-9-17(15)24-20/h6-11H,4-5,12-13H2,1-3H3
InChIKey
PZNBLEUYLIRHEG-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(10-methyl-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-14-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

337.16125 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.16853 180.5
[M+Na]+ 360.15047 190.3
[M-H]- 336.15397 184.9
[M+NH4]+ 355.19507 198.3
[M+K]+ 376.12441 184.5
[M+H-H2O]+ 320.15851 172.2
[M+HCOO]- 382.15945 195.4
[M+CH3COO]- 396.17510 191.4
[M+Na-2H]- 358.13592 184.1
[M]+ 337.16070 188.7
[M]- 337.16180 188.7
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