CID 21217843

3,4-diaminobenzamide

Structural Information

Molecular Formula
C7H9N3O
SMILES
C1=CC(=C(C=C1C(=O)N)N)N
InChI
InChI=1S/C7H9N3O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,8-9H2,(H2,10,11)
InChIKey
RGJXMMUQTCONEI-UHFFFAOYSA-N
Compound name
3,4-diaminobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

151.07455 Da
Monoisotopic Mass

-0.5
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

literature stripe

Patent stripe

patents stripe