CID 3077992

Brn 4898775

Structural Information

Molecular Formula
C36H30N6O5
SMILES
C1COCCN1CN2C3=CC=CC=C3C(=C2O)N=NC(=O)COC4=CC=C(C=C4)C(=O)C5=C(N=C6C(=C5)C=CC=N6)C7=CC=CC=C7
InChI
InChI=1S/C36H30N6O5/c43-31(39-40-33-28-10-4-5-11-30(28)42(36(33)45)23-41-17-19-46-20-18-41)22-47-27-14-12-25(13-15-27)34(44)29-21-26-9-6-16-37-35(26)38-32(29)24-7-2-1-3-8-24/h1-16,21,45H,17-20,22-23H2
InChIKey
KAVZHHFMYYSNJU-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

626.2278 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 627.23508 243.4
[M+Na]+ 649.21702 246.0
[M-H]- 625.22052 256.0
[M+NH4]+ 644.26162 239.0
[M+K]+ 665.19096 240.7
[M+H-H2O]+ 609.22506 226.4
[M+HCOO]- 671.22600 256.0
[M+CH3COO]- 685.24165 246.8
[M+Na-2H]- 647.20247 244.3
[M]+ 626.22725 244.5
[M]- 626.22835 244.5
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.