CID 205962

Dazidamine

Structural Information

Molecular Formula
C19H23N3S
SMILES
CN(C)CCCSC1=C2C=CC=CC2=NN1CC3=CC=CC=C3
InChI
InChI=1S/C19H23N3S/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)20-22(19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3
InChIKey
VPMZGRVNLHDREW-UHFFFAOYSA-N
Compound name
3-(2-benzylindazol-3-yl)sulfanyl-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

877
Patents

325.16125 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.168526 177.2
[M+Na]+ 348.150468 185.9
[M-H]- 324.153974 183.7
[M+NH4]+ 343.195073 192.8
[M+K]+ 364.124408 180.3
[M+H-H2O]+ 308.158510 168.0
[M+HCOO]- 370.159451 195.9
[M+CH3COO]- 384.175101 188.5
[M+Na-2H]- 346.135916 179.5
[M]+ 325.16070142 183.8
[M]- 325.16179858 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe