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

63
Patents

151.07455 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.081826 130.0
[M+Na]+ 174.063768 137.6
[M-H]- 150.067274 133.0
[M+NH4]+ 169.108373 149.7
[M+K]+ 190.037708 135.4
[M+H-H2O]+ 134.071810 123.9
[M+HCOO]- 196.072751 155.7
[M+CH3COO]- 210.088401 182.8
[M+Na-2H]- 172.049216 134.1
[M]+ 151.07400142 124.7
[M]- 151.07509858 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