CID 209895

20719-31-7

Structural Information

Molecular Formula
C32H32N10O2
SMILES
CC1=CC(=NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N=C5C=C(N(C(=N5)N)C)C)N=C(N1C)N
InChI
InChI=1S/C32H32N10O2/c1-19-17-27(39-31(33)41(19)3)35-23-9-13-25(14-10-23)37-29(43)21-5-7-22(8-6-21)30(44)38-26-15-11-24(12-16-26)36-28-18-20(2)42(4)32(34)40-28/h5-18H,1-4H3,(H,37,43)(H,38,44)(H2,33,35,39)(H2,34,36,40)
InChIKey
OCWXZIPEBKYCGP-UHFFFAOYSA-N
Compound name
1-N,4-N-bis[4-[(2-amino-1,6-dimethylpyrimidin-4-ylidene)amino]phenyl]benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

588.271 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.27828 248.5
[M+Na]+ 611.26022 254.3
[M-H]- 587.26372 261.7
[M+NH4]+ 606.30482 244.9
[M+K]+ 627.23416 246.6
[M+H-H2O]+ 571.26826 232.3
[M+HCOO]- 633.26920 270.6
[M+CH3COO]- 647.28485 253.0
[M+Na-2H]- 609.24567 250.3
[M]+ 588.27045 247.6
[M]- 588.27155 247.6
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.