CID 12571236

2,4-diaminobenzamide

Structural Information

Molecular Formula
C7H9N3O
SMILES
C1=CC(=C(C=C1N)N)C(=O)N
InChI
InChI=1S/C7H9N3O/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,8-9H2,(H2,10,11)
InChIKey
VBPWYDATKAEZSI-UHFFFAOYSA-N
Compound name
2,4-diaminobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

151.07455 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08183 130.0
[M+Na]+ 174.06377 137.6
[M-H]- 150.06727 133.0
[M+NH4]+ 169.10837 149.7
[M+K]+ 190.03771 135.4
[M+H-H2O]+ 134.07181 123.9
[M+HCOO]- 196.07275 155.7
[M+CH3COO]- 210.08840 182.8
[M+Na-2H]- 172.04922 134.1
[M]+ 151.07400 124.7
[M]- 151.07510 124.7
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