CID 210002

Nsc 125027

Structural Information

Molecular Formula
C30H28N10O2
SMILES
CN1C=CC(=NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N=C5C=CN(C(=N5)N)C)N=C1N
InChI
InChI=1S/C30H28N10O2/c1-39-17-15-25(37-29(39)31)33-21-7-11-23(12-8-21)35-27(41)19-3-5-20(6-4-19)28(42)36-24-13-9-22(10-14-24)34-26-16-18-40(2)30(32)38-26/h3-18H,1-2H3,(H,35,41)(H,36,42)(H2,31,33,37)(H2,32,34,38)
InChIKey
DZGVQTQQVCCDAN-UHFFFAOYSA-N
Compound name
1-N,4-N-bis[4-[(2-amino-1-methylpyrimidin-4-ylidene)amino]phenyl]benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

560.2397 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.24698 235.1
[M+Na]+ 583.22892 240.2
[M-H]- 559.23242 247.9
[M+NH4]+ 578.27352 232.1
[M+K]+ 599.20286 232.5
[M+H-H2O]+ 543.23696 219.1
[M+HCOO]- 605.23790 258.1
[M+CH3COO]- 619.25355 240.1
[M+Na-2H]- 581.21437 239.9
[M]+ 560.23915 232.8
[M]- 560.24025 232.8
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.