CID 6434977

Mk-741 hydrogen maleate

Structural Information

Molecular Formula
C21H23NO2S
SMILES
CN(C)CC/C=C/1\C2=CC=CC=C2C=CC3=C1C=C(C=C3)S(=O)(=O)C
InChI
InChI=1S/C21H23NO2S/c1-22(2)14-6-9-20-19-8-5-4-7-16(19)10-11-17-12-13-18(15-21(17)20)25(3,23)24/h4-5,7-13,15H,6,14H2,1-3H3/b20-9+
InChIKey
UZURNLLVSHDOKL-AWQFTUOYSA-N
Compound name
(3E)-N,N-dimethyl-3-(5-methylsulfonyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenylidene)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.14496 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.15224 184.1
[M+Na]+ 376.13418 195.4
[M+NH4]+ 371.17878 191.7
[M+K]+ 392.10812 186.9
[M-H]- 352.13768 187.3
[M+Na-2H]- 374.11963 189.7
[M]+ 353.14441 187.3
[M]- 353.14551 187.3
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

No patent data available for this compound.