CID 489155

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

Structural Information

Molecular Formula
C29H29N5O2
SMILES
CCN(CC)CN1C2=CC=CC=C2C(=C1O)N=NC(=O)C3=C(C4=C(N3)C=CC(=C4)C)C5=CC=CC=C5
InChI
InChI=1S/C29H29N5O2/c1-4-33(5-2)18-34-24-14-10-9-13-21(24)26(29(34)36)31-32-28(35)27-25(20-11-7-6-8-12-20)22-17-19(3)15-16-23(22)30-27/h6-17,30,36H,4-5,18H2,1-3H3
InChIKey
BNHJSPLNUWXRBN-UHFFFAOYSA-N
Compound name
N-[1-(diethylaminomethyl)-2-hydroxyindol-3-yl]imino-5-methyl-3-phenyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.23212 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.23940 218.0
[M+Na]+ 502.22134 225.7
[M-H]- 478.22484 230.0
[M+NH4]+ 497.26594 228.3
[M+K]+ 518.19528 219.4
[M+H-H2O]+ 462.22938 207.1
[M+HCOO]- 524.23032 242.6
[M+CH3COO]- 538.24597 227.1
[M+Na-2H]- 500.20679 218.8
[M]+ 479.23157 224.7
[M]- 479.23267 224.7
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.