CID 388886

Nsc684111

Structural Information

Molecular Formula
C34H26N4O4
SMILES
COC1=NC(=C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)NNC(=O)C4=C(C5=CC=CC=C5C(=N4)OC)C6=CC=CC=C6
InChI
InChI=1S/C34H26N4O4/c1-41-33-25-19-11-9-17-23(25)27(21-13-5-3-6-14-21)29(35-33)31(39)37-38-32(40)30-28(22-15-7-4-8-16-22)24-18-10-12-20-26(24)34(36-30)42-2/h3-20H,1-2H3,(H,37,39)(H,38,40)
InChIKey
XXKFRVWNZPWMRM-UHFFFAOYSA-N
Compound name
1-methoxy-N'-(1-methoxy-4-phenylisoquinoline-3-carbonyl)-4-phenylisoquinoline-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

554.19543 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.20271 235.3
[M+Na]+ 577.18465 240.6
[M-H]- 553.18815 246.3
[M+NH4]+ 572.22925 236.4
[M+K]+ 593.15859 234.0
[M+H-H2O]+ 537.19269 219.6
[M+HCOO]- 599.19363 252.6
[M+CH3COO]- 613.20928 240.7
[M+Na-2H]- 575.17010 239.8
[M]+ 554.19488 237.8
[M]- 554.19598 237.8
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.