CID 372623

Nsc648062

Structural Information

Molecular Formula
C31H30N2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC3=C(C(=C2)C)N(C4=CC=CC=C43)CC5=CC=CC=C5)CC(=O)C
InChI
InChI=1S/C31H30N2O3S/c1-22-13-15-27(16-14-22)37(35,36)32(19-24(3)34)20-26-17-23(2)31-29(18-26)28-11-7-8-12-30(28)33(31)21-25-9-5-4-6-10-25/h4-18H,19-21H2,1-3H3
InChIKey
VRSDBYQTAKMXJO-UHFFFAOYSA-N
Compound name
N-[(9-benzyl-1-methylcarbazol-3-yl)methyl]-4-methyl-N-(2-oxopropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.19772 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.20500 228.6
[M+Na]+ 533.18694 236.1
[M-H]- 509.19044 240.0
[M+NH4]+ 528.23154 237.7
[M+K]+ 549.16088 229.6
[M+H-H2O]+ 493.19498 218.3
[M+HCOO]- 555.19592 243.3
[M+CH3COO]- 569.21157 236.6
[M+Na-2H]- 531.17239 228.8
[M]+ 510.19717 236.4
[M]- 510.19827 236.4
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.