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 183.9
[M+Na]+ 376.13418 190.1
[M-H]- 352.13768 191.4
[M+NH4]+ 371.17878 199.2
[M+K]+ 392.10812 190.0
[M+H-H2O]+ 336.14222 178.5
[M+HCOO]- 398.14316 199.3
[M+CH3COO]- 412.15881 218.7
[M+Na-2H]- 374.11963 187.6
[M]+ 353.14441 186.2
[M]- 353.14551 186.2
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.