CID 25157282

2-amino-5-cyano-n,3-dimethylbenzamide

Structural Information

Molecular Formula
C10H11N3O
SMILES
CC1=CC(=CC(=C1N)C(=O)NC)C#N
InChI
InChI=1S/C10H11N3O/c1-6-3-7(5-11)4-8(9(6)12)10(14)13-2/h3-4H,12H2,1-2H3,(H,13,14)
InChIKey
UOCPQZOXOQZEGV-UHFFFAOYSA-N
Compound name
2-amino-5-cyano-N,3-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

236
Patents

189.09021 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.097486 145.4
[M+Na]+ 212.079428 155.2
[M-H]- 188.082934 148.8
[M+NH4]+ 207.124033 162.7
[M+K]+ 228.053368 152.6
[M+H-H2O]+ 172.087470 133.0
[M+HCOO]- 234.088411 166.5
[M+CH3COO]- 248.104061 201.1
[M+Na-2H]- 210.064876 148.4
[M]+ 189.08966142 139.1
[M]- 189.09075858 139.1
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