CID 489157

5-methoxy-n-[(e)-[1-(morpholinomethyl)-2-oxo-indolin-3-ylidene]amino]-3-phenyl-1h-indole-2-carboxamide

Structural Information

Molecular Formula
C29H27N5O4
SMILES
COC1=CC2=C(C=C1)NC(=C2C3=CC=CC=C3)C(=O)N=NC4=C(N(C5=CC=CC=C54)CN6CCOCC6)O
InChI
InChI=1S/C29H27N5O4/c1-37-20-11-12-23-22(17-20)25(19-7-3-2-4-8-19)27(30-23)28(35)32-31-26-21-9-5-6-10-24(21)34(29(26)36)18-33-13-15-38-16-14-33/h2-12,17,30,36H,13-16,18H2,1H3
InChIKey
UXISLAMWQSYQQU-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-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

509.2063 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.21358 217.7
[M+Na]+ 532.19552 224.1
[M-H]- 508.19902 230.0
[M+NH4]+ 527.24012 222.7
[M+K]+ 548.16946 218.8
[M+H-H2O]+ 492.20356 205.8
[M+HCOO]- 554.20450 235.6
[M+CH3COO]- 568.22015 225.2
[M+Na-2H]- 530.18097 218.1
[M]+ 509.20575 220.7
[M]- 509.20685 220.7
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.