CID 174135

Gyki 32887

Structural Information

Molecular Formula
C19H24N6O2S
SMILES
CN1CC(=C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CN(CCN=[N+]=[N-])S(=O)(=O)C
InChI
InChI=1S/C19H24N6O2S/c1-24-11-13(12-25(28(2,26)27)7-6-22-23-20)8-16-15-4-3-5-17-19(15)14(10-21-17)9-18(16)24/h3-5,8,10,16,18,21H,6-7,9,11-12H2,1-2H3/t16-,18-/m1/s1
InChIKey
KHWYJNRYIAULDT-SJLPKXTDSA-N
Compound name
N-[[(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-N-(2-azidoethyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3
Patents

400.16815 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.17543 187.6
[M+Na]+ 423.15737 192.6
[M-H]- 399.16087 192.2
[M+NH4]+ 418.20197 200.9
[M+K]+ 439.13131 183.2
[M+H-H2O]+ 383.16541 183.3
[M+HCOO]- 445.16635 203.8
[M+CH3COO]- 459.18200 227.8
[M+Na-2H]- 421.14282 197.7
[M]+ 400.16760 188.7
[M]- 400.16870 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

No patent data available for this compound.