CID 3039214

1(2h)-phthalazinone, 4-(guanidinomethyl)-2-methyl-, hemisulfate

Structural Information

Molecular Formula
C11H13N5O
SMILES
CN1C(=O)C2=CC=CC=C2C(=N1)CN=C(N)N
InChI
InChI=1S/C11H13N5O/c1-16-10(17)8-5-3-2-4-7(8)9(15-16)6-14-11(12)13/h2-5H,6H2,1H3,(H4,12,13,14)
InChIKey
OBQFZQVGTKIOHC-UHFFFAOYSA-N
Compound name
2-[(3-methyl-4-oxophthalazin-1-yl)methyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.11201 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.119286 150.6
[M+Na]+ 254.101228 159.6
[M-H]- 230.104734 153.6
[M+NH4]+ 249.145833 166.6
[M+K]+ 270.075168 156.0
[M+H-H2O]+ 214.109270 142.2
[M+HCOO]- 276.110211 174.7
[M+CH3COO]- 290.125861 200.7
[M+Na-2H]- 252.086676 157.4
[M]+ 231.11146142 149.3
[M]- 231.11255858 149.3
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.