CID 9556306

Nsc690243

Structural Information

Molecular Formula
C27H30N10
SMILES
C1CNC(=NC1)N/N=C/C=C/C2=CC=C(C=C2)C3=CN4C=C(C=CC4=N3)/C=C/C=N/NC5=NCCCN5
InChI
InChI=1S/C27H30N10/c1(17-32-35-26-28-13-3-14-29-26)5-21-7-10-23(11-8-21)24-20-37-19-22(9-12-25(37)34-24)6-2-18-33-36-27-30-15-4-16-31-27/h1-2,5-12,17-20H,3-4,13-16H2,(H2,28,29,35)(H2,30,31,36)/b5-1+,6-2+,32-17+,33-18+
InChIKey
PNAOGXRKKNMJNZ-YTOWEMSJSA-N
Compound name
N-[(E)-[(E)-3-[4-[6-[(E,3E)-3-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]prop-2-enylidene]amino]-1,4,5,6-tetrahydropyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.2655 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.27278 211.5
[M+Na]+ 517.25472 213.9
[M-H]- 493.25822 216.1
[M+NH4]+ 512.29932 211.0
[M+K]+ 533.22866 202.5
[M+H-H2O]+ 477.26276 196.0
[M+HCOO]- 539.26370 227.0
[M+CH3COO]- 553.27935 215.1
[M+Na-2H]- 515.24017 217.2
[M]+ 494.26495 203.9
[M]- 494.26605 203.9
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.