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
2
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]+ 430.271376 212.9
[M+Na]+ 452.253318 221.8
[M-H]- 428.256824 221.4
[M+NH4]+ 447.297923 222.0
[M+K]+ 468.227258 215.7
[M+H-H2O]+ 412.261360 201.0
[M+HCOO]- 474.262301 231.9
[M+CH3COO]- 488.277951 242.0
[M+Na-2H]- 450.238766 212.1
[M]+ 429.26355142 218.7
[M]- 429.26464858 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