CID 15954642

3-methyl-6-[3-[2,6-dimethyl-4-(2-methyl-tetrazol-5-yl)-phenoxy]-propyl]-pyridazine

Structural Information

Molecular Formula
C18H22N6O
SMILES
CC1=NN=C(C=C1)CCCOC2=C(C=C(C=C2C)C3=NN(N=N3)C)C
InChI
InChI=1S/C18H22N6O/c1-12-10-15(18-21-23-24(4)22-18)11-13(2)17(12)25-9-5-6-16-8-7-14(3)19-20-16/h7-8,10-11H,5-6,9H2,1-4H3
InChIKey
HLMOULYBJXFHFQ-UHFFFAOYSA-N
Compound name
3-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-6-methylpyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

338.18552 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.19280 185.4
[M+Na]+ 361.17474 196.0
[M-H]- 337.17824 188.2
[M+NH4]+ 356.21934 192.9
[M+K]+ 377.14868 189.3
[M+H-H2O]+ 321.18278 172.9
[M+HCOO]- 383.18372 202.2
[M+CH3COO]- 397.19937 194.8
[M+Na-2H]- 359.16019 186.7
[M]+ 338.18497 190.1
[M]- 338.18607 190.1
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