CID 489161

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

Structural Information

Molecular Formula
C29H29N5O3
SMILES
CCN(CC)CN1C2=CC=CC=C2C(=C1O)N=NC(=O)C3=C(C4=C(N3)C=CC(=C4)OC)C5=CC=CC=C5
InChI
InChI=1S/C29H29N5O3/c1-4-33(5-2)18-34-24-14-10-9-13-21(24)26(29(34)36)31-32-28(35)27-25(19-11-7-6-8-12-19)22-17-20(37-3)15-16-23(22)30-27/h6-17,30,36H,4-5,18H2,1-3H3
InChIKey
GBEKFWYCMMDDCN-UHFFFAOYSA-N
Compound name
N-[1-(diethylaminomethyl)-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

495.22705 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.23433 220.1
[M+Na]+ 518.21627 227.4
[M-H]- 494.21977 232.1
[M+NH4]+ 513.26087 229.6
[M+K]+ 534.19021 222.0
[M+H-H2O]+ 478.22431 209.0
[M+HCOO]- 540.22525 244.8
[M+CH3COO]- 554.24090 229.0
[M+Na-2H]- 516.20172 221.2
[M]+ 495.22650 228.1
[M]- 495.22760 228.1
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.