CID 5287703

3-(hydroxymethyl)-1-methyl-5-(2-methylaziridin-1-yl)-2-phenyl-1h-indole-4,7-dione

Structural Information

Molecular Formula
C19H18N2O3
SMILES
C[C@@H]1CN1C2=CC(=O)C3=C(C2=O)C(=C(N3C)C4=CC=CC=C4)CO
InChI
InChI=1S/C19H18N2O3/c1-11-9-21(11)14-8-15(23)18-16(19(14)24)13(10-22)17(20(18)2)12-6-4-3-5-7-12/h3-8,11,22H,9-10H2,1-2H3/t11-,21?/m1/s1
InChIKey
RQFCSAVLOHDQNB-ZIFPNCEFSA-N
Compound name
3-(hydroxymethyl)-1-methyl-5-[(2R)-2-methylaziridin-1-yl]-2-phenylindole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.13174 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.13902 179.4
[M+Na]+ 345.12096 191.8
[M-H]- 321.12446 187.6
[M+NH4]+ 340.16556 189.1
[M+K]+ 361.09490 184.2
[M+H-H2O]+ 305.12900 171.6
[M+HCOO]- 367.12994 197.9
[M+CH3COO]- 381.14559 190.4
[M+Na-2H]- 343.10641 178.6
[M]+ 322.13119 184.0
[M]- 322.13229 184.0
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

No patent data available for this compound.