CID 484323

180741-06-4

Structural Information

Molecular Formula
C12H15N5O2
SMILES
CC(=O)C1=CC(=CC(=C1)N=C(N)N=C(N)N)C(=O)C
InChI
InChI=1S/C12H15N5O2/c1-6(18)8-3-9(7(2)19)5-10(4-8)16-12(15)17-11(13)14/h3-5H,1-2H3,(H6,13,14,15,16,17)
InChIKey
UBFXZEUJVQCKPZ-UHFFFAOYSA-N
Compound name
2-(3,5-diacetylphenyl)-1-(diaminomethylidene)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

261.1226 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.12988 161.6
[M+Na]+ 284.11182 166.3
[M-H]- 260.11532 166.7
[M+NH4]+ 279.15642 177.0
[M+K]+ 300.08576 165.6
[M+H-H2O]+ 244.11986 153.3
[M+HCOO]- 306.12080 188.3
[M+CH3COO]- 320.13645 214.2
[M+Na-2H]- 282.09727 161.0
[M]+ 261.12205 157.4
[M]- 261.12315 157.4
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