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 150.6
[M+Na]+ 254.10123 159.6
[M-H]- 230.10473 153.6
[M+NH4]+ 249.14583 166.6
[M+K]+ 270.07517 156.0
[M+H-H2O]+ 214.10927 142.2
[M+HCOO]- 276.11021 174.7
[M+CH3COO]- 290.12586 200.7
[M+Na-2H]- 252.08668 157.4
[M]+ 231.11146 149.3
[M]- 231.11256 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.