CID 15333710

162208-01-7

Structural Information

Molecular Formula
C25H31N7
SMILES
CCN(CC)C1=NC(=C(C=C1)N=C2C(=NN3C2=NN=C3C4=CC=CC(=C4)C)C(C)(C)C)C
InChI
InChI=1S/C25H31N7/c1-8-31(9-2)20-14-13-19(17(4)26-20)27-21-22(25(5,6)7)30-32-23(28-29-24(21)32)18-12-10-11-16(3)15-18/h10-15H,8-9H2,1-7H3
InChIKey
ODBHPUXWMUDERE-UHFFFAOYSA-N
Compound name
5-[[6-tert-butyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-N,N-diethyl-6-methylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

429.2641 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.27138 207.3
[M+Na]+ 452.25332 220.6
[M+NH4]+ 447.29792 212.8
[M+K]+ 468.22726 217.4
[M-H]- 428.25682 212.0
[M+Na-2H]- 450.23877 214.6
[M]+ 429.26355 210.5
[M]- 429.26465 210.5
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

patents stripe