CID 135959513

20719-32-8

Structural Information

Molecular Formula
C34H36N10O2
SMILES
CCN1C(=CC(=NC1=N)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)NC5=NC(=N)N(C(=C5)C)CC)C
InChI
InChI=1S/C34H36N10O2/c1-5-43-21(3)19-29(41-33(43)35)37-25-11-15-27(16-12-25)39-31(45)23-7-9-24(10-8-23)32(46)40-28-17-13-26(14-18-28)38-30-20-22(4)44(6-2)34(36)42-30/h7-20H,5-6H2,1-4H3,(H,39,45)(H,40,46)(H2,35,37,41)(H2,36,38,42)
InChIKey
CQFOACMMDWFNJH-UHFFFAOYSA-N
Compound name
1-N,4-N-bis[4-[(1-ethyl-2-imino-6-methylpyrimidin-4-yl)amino]phenyl]benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

616.30225 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 617.30953 251.7
[M+Na]+ 639.29147 255.6
[M-H]- 615.29497 263.0
[M+NH4]+ 634.33607 246.1
[M+K]+ 655.26541 247.1
[M+H-H2O]+ 599.29951 235.9
[M+HCOO]- 661.30045 271.6
[M+CH3COO]- 675.31610 254.8
[M+Na-2H]- 637.27692 254.3
[M]+ 616.30170 250.1
[M]- 616.30280 250.1
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.