CID 9573896

Nsc375166

Structural Information

Molecular Formula
C34H30N10
SMILES
C[N+]1=C2C=CC=CN2C=C1C3=CC=C(C=C3)/C=N/NC4=NC(=NC=C4)N/N=C/C5=CC=C(C=C5)C6=CN7C=CC=CC7=[N+]6C
InChI
InChI=1S/C34H30N10/c1-41-29(23-43-19-5-3-7-32(41)43)27-13-9-25(10-14-27)21-36-39-31-17-18-35-34(38-31)40-37-22-26-11-15-28(16-12-26)30-24-44-20-6-4-8-33(44)42(30)2/h3-24H,1-2H3,(H2,35,38,39,40)/q+2/b36-21+,37-22+
InChIKey
BENLPZDVYYNNSX-HLVKTBDNSA-N
Compound name
2-N,4-N-bis[(E)-[4-(1-methylimidazo[1,2-a]pyridin-1-ium-2-yl)phenyl]methylideneamino]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

578.2655 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.27278 237.6
[M+Na]+ 601.25472 244.1
[M-H]- 577.25822 251.3
[M+NH4]+ 596.29932 236.9
[M+K]+ 617.22866 223.0
[M+H-H2O]+ 561.26276 225.7
[M+HCOO]- 623.26370 258.3
[M+CH3COO]- 637.27935 242.5
[M+Na-2H]- 599.24017 248.0
[M]+ 578.26495 239.3
[M]- 578.26605 239.3
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.