CID 6446963

68797-89-7

Structural Information

Molecular Formula
C32H30N10O2
SMILES
CN1C=C(C(=NC1=N)N)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=CN(C(=N)N=C5N)C
InChI
InChI=1S/C32H30N10O2/c1-41-17-25(28(33)39-31(41)35)20-8-12-23(13-9-20)37-27(43)16-5-19-3-6-22(7-4-19)30(44)38-24-14-10-21(11-15-24)26-18-42(2)32(36)40-29(26)34/h3-18H,1-2H3,(H,37,43)(H,38,44)(H3,33,35,39)(H3,34,36,40)/b16-5+
InChIKey
RFGKAJAZMRBGCR-FZSIALSZSA-N
Compound name
4-[(E)-3-[4-(4-amino-2-imino-1-methylpyrimidin-5-yl)anilino]-3-oxoprop-1-enyl]-N-[4-(4-amino-2-imino-1-methylpyrimidin-5-yl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

586.2553 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.26258 245.3
[M+Na]+ 609.24452 250.6
[M-H]- 585.24802 256.2
[M+NH4]+ 604.28912 240.5
[M+K]+ 625.21846 241.3
[M+H-H2O]+ 569.25256 230.3
[M+HCOO]- 631.25350 264.9
[M+CH3COO]- 645.26915 248.9
[M+Na-2H]- 607.22997 246.9
[M]+ 586.25475 240.8
[M]- 586.25585 240.8
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.