CID 3077991

Brn 4898515

Structural Information

Molecular Formula
C37H32N6O4
SMILES
C1CCN(CC1)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/C37H32N6O4/c44-32(40-41-34-29-13-5-6-14-31(29)43(37(34)46)24-42-20-7-2-8-21-42)23-47-28-17-15-26(16-18-28)35(45)30-22-27-12-9-19-38-36(27)39-33(30)25-10-3-1-4-11-25/h1,3-6,9-19,22,46H,2,7-8,20-21,23-24H2
InChIKey
IHYPZGQMVCTNFY-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-1-(piperidin-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

624.2485 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 625.25578 244.0
[M+Na]+ 647.23772 246.1
[M-H]- 623.24122 255.7
[M+NH4]+ 642.28232 241.0
[M+K]+ 663.21166 238.7
[M+H-H2O]+ 607.24576 226.8
[M+HCOO]- 669.24670 257.0
[M+CH3COO]- 683.26235 247.0
[M+Na-2H]- 645.22317 244.4
[M]+ 624.24795 243.5
[M]- 624.24905 243.5
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.