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]+ 232.11929 149.7
[M+Na]+ 254.10123 161.2
[M+NH4]+ 249.14583 156.4
[M+K]+ 270.07517 155.8
[M-H]- 230.10473 152.3
[M+Na-2H]- 252.08668 155.4
[M]+ 231.11146 151.7
[M]- 231.11256 151.7
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

No patent data available for this compound.