CID 9361728

878465-57-7

Structural Information

Molecular Formula
C12H13N3O
SMILES
CC1=NOC(=C1)NC(=NC)C2=CC=CC=C2
InChI
InChI=1S/C12H13N3O/c1-9-8-11(16-15-9)14-12(13-2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,14)
InChIKey
MOSWWFHZRNXUOV-UHFFFAOYSA-N
Compound name
N'-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.10587 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11315 148.0
[M+Na]+ 238.09509 155.2
[M-H]- 214.09859 155.7
[M+NH4]+ 233.13969 165.7
[M+K]+ 254.06903 153.9
[M+H-H2O]+ 198.10313 139.7
[M+HCOO]- 260.10407 174.6
[M+CH3COO]- 274.11972 192.7
[M+Na-2H]- 236.08054 154.7
[M]+ 215.10532 149.0
[M]- 215.10642 149.0
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.