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]+ 510.213576 217.7
[M+Na]+ 532.195518 224.1
[M-H]- 508.199024 230.0
[M+NH4]+ 527.240123 222.7
[M+K]+ 548.169458 218.8
[M+H-H2O]+ 492.203560 205.8
[M+HCOO]- 554.204501 235.6
[M+CH3COO]- 568.220151 225.2
[M+Na-2H]- 530.180966 218.1
[M]+ 509.20575142 220.7
[M]- 509.20684858 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.