CID 10073773

Suvn-502

Structural Information

Molecular Formula
C21H24BrN3O3S
SMILES
CN1CCN(CC1)CC2=CN(C3=C2C=C(C=C3)OC)S(=O)(=O)C4=CC=CC=C4Br
InChI
InChI=1S/C21H24BrN3O3S/c1-23-9-11-24(12-10-23)14-16-15-25(20-8-7-17(28-2)13-18(16)20)29(26,27)21-6-4-3-5-19(21)22/h3-8,13,15H,9-12,14H2,1-2H3
InChIKey
GWCYPEHWIZXYFZ-UHFFFAOYSA-N
Compound name
1-(2-bromophenyl)sulfonyl-5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]indole
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

516
Patents

477.07217 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.07945 198.0
[M+Na]+ 500.06139 209.9
[M-H]- 476.06489 207.6
[M+NH4]+ 495.10599 209.8
[M+K]+ 516.03533 197.2
[M+H-H2O]+ 460.06943 196.3
[M+HCOO]- 522.07037 208.1
[M+CH3COO]- 536.08602 209.0
[M+Na-2H]- 498.04684 199.9
[M]+ 477.07162 220.2
[M]- 477.07272 220.2
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