CID 3047716

Metesind

Structural Information

Molecular Formula
C23H24N4O3S
SMILES
CN(CC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)C3=C4C=CC=C5C4=C(C=C3)N=C5N
InChI
InChI=1S/C23H24N4O3S/c1-26(21-10-9-20-22-18(21)3-2-4-19(22)23(24)25-20)15-16-5-7-17(8-6-16)31(28,29)27-11-13-30-14-12-27/h2-10H,11-15H2,1H3,(H2,24,25)
InChIKey
CVEGTZWWWRJCFK-UHFFFAOYSA-N
Compound name
6-N-methyl-6-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzo[cd]indole-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

43
Patents

436.15692 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.16420 198.6
[M+Na]+ 459.14614 211.2
[M+NH4]+ 454.19074 206.0
[M+K]+ 475.12008 204.7
[M-H]- 435.14964 205.6
[M+Na-2H]- 457.13159 205.1
[M]+ 436.15637 202.8
[M]- 436.15747 202.8
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