CID 15333710

Ec 416-490-8

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

72
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 212.9
[M+Na]+ 452.25332 221.8
[M-H]- 428.25682 221.4
[M+NH4]+ 447.29792 222.0
[M+K]+ 468.22726 215.7
[M+H-H2O]+ 412.26136 201.0
[M+HCOO]- 474.26230 231.9
[M+CH3COO]- 488.27795 242.0
[M+Na-2H]- 450.23877 212.1
[M]+ 429.26355 218.7
[M]- 429.26465 218.7
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