CID 80760

N-(2,4-diaminophenyl)acetamide

Structural Information

Molecular Formula
C8H11N3O
SMILES
CC(=O)NC1=C(C=C(C=C1)N)N
InChI
InChI=1S/C8H11N3O/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,9-10H2,1H3,(H,11,12)
InChIKey
XLXOPVQPBPLVHP-UHFFFAOYSA-N
Compound name
N-(2,4-diaminophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

165.09021 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.09749 134.4
[M+Na]+ 188.07943 141.7
[M-H]- 164.08293 137.8
[M+NH4]+ 183.12403 153.9
[M+K]+ 204.05337 139.6
[M+H-H2O]+ 148.08747 128.2
[M+HCOO]- 210.08841 160.5
[M+CH3COO]- 224.10406 185.7
[M+Na-2H]- 186.06488 139.1
[M]+ 165.08966 130.4
[M]- 165.09076 130.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe