CID 2463

Buterazine

Structural Information

Molecular Formula
C14H16N4
SMILES
CC(=CC(=NNC1=NN=CC2=CC=CC=C21)C)C
InChI
InChI=1S/C14H16N4/c1-10(2)8-11(3)16-18-14-13-7-5-4-6-12(13)9-15-17-14/h4-9H,1-3H3,(H,17,18)
InChIKey
DQGFCLJXYFXXIJ-UHFFFAOYSA-N
Compound name
N-(4-methylpent-3-en-2-ylideneamino)phthalazin-1-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

20
References

1635
Patents

240.1375 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.144776 156.2
[M+Na]+ 263.126718 162.8
[M-H]- 239.130224 159.0
[M+NH4]+ 258.171323 172.1
[M+K]+ 279.100658 159.0
[M+H-H2O]+ 223.134760 147.3
[M+HCOO]- 285.135701 178.3
[M+CH3COO]- 299.151351 201.3
[M+Na-2H]- 261.112166 163.4
[M]+ 240.13695142 155.7
[M]- 240.13804858 155.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe