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
1
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]+ 326.16853 177.2
[M+Na]+ 348.15047 185.9
[M-H]- 324.15397 183.7
[M+NH4]+ 343.19507 192.8
[M+K]+ 364.12441 180.3
[M+H-H2O]+ 308.15851 168.0
[M+HCOO]- 370.15945 195.9
[M+CH3COO]- 384.17510 188.5
[M+Na-2H]- 346.13592 179.5
[M]+ 325.16070 183.8
[M]- 325.16180 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.