CID 3077993

Brn 4898298

Structural Information

Molecular Formula
C36H30N6O4
SMILES
C1CCN(C1)CN2C3=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/C36H30N6O4/c43-31(39-40-33-28-12-4-5-13-30(28)42(36(33)45)23-41-19-6-7-20-41)22-46-27-16-14-25(15-17-27)34(44)29-21-26-11-8-18-37-35(26)38-32(29)24-9-2-1-3-10-24/h1-5,8-18,21,45H,6-7,19-20,22-23H2
InChIKey
PBMNMADZQRCBGU-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-1-(pyrrolidin-1-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

610.23285 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.24013 238.4
[M+Na]+ 633.22207 241.7
[M-H]- 609.22557 251.9
[M+NH4]+ 628.26667 238.3
[M+K]+ 649.19601 235.0
[M+H-H2O]+ 593.23011 223.3
[M+HCOO]- 655.23105 254.4
[M+CH3COO]- 669.24670 243.0
[M+Na-2H]- 631.20752 237.0
[M]+ 610.23230 240.4
[M]- 610.23340 240.4
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.