CID 489160

N-(aza{1-[(dimethylamino)methyl]-2-oxoindolin-3-ylidene}methyl)(5-methoxy-3-phenylindol-2-yl)carboxamide

Structural Information

Molecular Formula
C27H25N5O3
SMILES
CN(C)CN1C2=CC=CC=C2C(=C1O)N=NC(=O)C3=C(C4=C(N3)C=CC(=C4)OC)C5=CC=CC=C5
InChI
InChI=1S/C27H25N5O3/c1-31(2)16-32-22-12-8-7-11-19(22)24(27(32)34)29-30-26(33)25-23(17-9-5-4-6-10-17)20-15-18(35-3)13-14-21(20)28-25/h4-15,28,34H,16H2,1-3H3
InChIKey
CLULWUQDLHAGQR-UHFFFAOYSA-N
Compound name
N-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-5-methoxy-3-phenyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.19574 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.20302 211.5
[M+Na]+ 490.18496 219.7
[M-H]- 466.18846 223.8
[M+NH4]+ 485.22956 222.1
[M+K]+ 506.15890 214.7
[M+H-H2O]+ 450.19300 200.8
[M+HCOO]- 512.19394 236.9
[M+CH3COO]- 526.20959 221.3
[M+Na-2H]- 488.17041 213.6
[M]+ 467.19519 218.9
[M]- 467.19629 218.9
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.