CID 489158

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

Structural Information

Molecular Formula
C30H29N5O3
SMILES
COC1=CC2=C(C=C1)NC(=C2C3=CC=CC=C3)C(=O)N=NC4=C(N(C5=CC=CC=C54)CN6CCCCC6)O
InChI
InChI=1S/C30H29N5O3/c1-38-21-14-15-24-23(18-21)26(20-10-4-2-5-11-20)28(31-24)29(36)33-32-27-22-12-6-7-13-25(22)35(30(27)37)19-34-16-8-3-9-17-34/h2,4-7,10-15,18,31,37H,3,8-9,16-17,19H2,1H3
InChIKey
MPJPPQUFXVXCJP-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-1-(piperidin-1-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

507.22705 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.23433 218.5
[M+Na]+ 530.21627 224.3
[M-H]- 506.21977 229.9
[M+NH4]+ 525.26087 224.9
[M+K]+ 546.19021 217.1
[M+H-H2O]+ 490.22431 206.1
[M+HCOO]- 552.22525 236.8
[M+CH3COO]- 566.24090 225.6
[M+Na-2H]- 528.20172 218.2
[M]+ 507.22650 219.9
[M]- 507.22760 219.9
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.