CID 9573891

Nsc375162

Structural Information

Molecular Formula
C21H22N10
SMILES
C1CN=C(N1)N/N=C/C2=CC=C(C=C2)C3=CN4C=C(C=CC4=N3)/C=N/NC5=NCCN5
InChI
InChI=1S/C21H22N10/c1-4-17(5-2-15(1)11-26-29-20-22-7-8-23-20)18-14-31-13-16(3-6-19(31)28-18)12-27-30-21-24-9-10-25-21/h1-6,11-14H,7-10H2,(H2,22,23,29)(H2,24,25,30)/b26-11+,27-12+
InChIKey
TTWWNPBOJPNPSQ-LYXAAFRTSA-N
Compound name
N-[(E)-[4-[6-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.20288 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.21016 183.5
[M+Na]+ 437.19210 189.2
[M-H]- 413.19560 191.7
[M+NH4]+ 432.23670 190.6
[M+K]+ 453.16604 181.9
[M+H-H2O]+ 397.20014 170.7
[M+HCOO]- 459.20108 205.7
[M+CH3COO]- 473.21673 191.6
[M+Na-2H]- 435.17755 187.9
[M]+ 414.20233 180.9
[M]- 414.20343 180.9
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.