CID 24847169

103922-48-1

Structural Information

Molecular Formula
C18H27N7O
SMILES
CN1C(=NC(=N1)NC/C=C\COC2=NC=CC(=C2)CN3CCCCC3)N
InChI
InChI=1S/C18H27N7O/c1-24-17(19)22-18(23-24)21-8-3-6-12-26-16-13-15(7-9-20-16)14-25-10-4-2-5-11-25/h3,6-7,9,13H,2,4-5,8,10-12,14H2,1H3,(H3,19,21,22,23)/b6-3-
InChIKey
DBDUNGSZHNYNBZ-UTCJRWHESA-N
Compound name
1-methyl-3-N-[(Z)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]-1,2,4-triazole-3,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.22772 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.23500 186.8
[M+Na]+ 380.21694 191.0
[M-H]- 356.22044 188.7
[M+NH4]+ 375.26154 193.2
[M+K]+ 396.19088 184.8
[M+H-H2O]+ 340.22498 173.8
[M+HCOO]- 402.22592 202.7
[M+CH3COO]- 416.24157 218.0
[M+Na-2H]- 378.20239 187.7
[M]+ 357.22717 183.2
[M]- 357.22827 183.2
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.