CID 25796

N-(4,6-diamino-1,3,5-triazin-2-yl)formamide

Structural Information

Molecular Formula
C4H6N6O
SMILES
C(=O)NC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C4H6N6O/c5-2-8-3(6)10-4(9-2)7-1-11/h1H,(H5,5,6,7,8,9,10,11)
InChIKey
BPISYIZLDVUTAP-UHFFFAOYSA-N
Compound name
N-(4,6-diamino-1,3,5-triazin-2-yl)formamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

35
References

51967
Patents

154.0603 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.067576 129.3
[M+Na]+ 177.049518 138.6
[M-H]- 153.053024 129.0
[M+NH4]+ 172.094123 145.2
[M+K]+ 193.023458 136.3
[M+H-H2O]+ 137.057560 121.1
[M+HCOO]- 199.058501 153.8
[M+CH3COO]- 213.074151 181.8
[M+Na-2H]- 175.034966 137.9
[M]+ 154.05975142 126.2
[M]- 154.06084858 126.2
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