CID 14438739

(diamino-1,3,5-triazin-2-yl)urea

Structural Information

Molecular Formula
C4H7N7O
SMILES
C1(=NC(=NC(=N1)NC(=O)N)N)N
InChI
InChI=1S/C4H7N7O/c5-1-8-2(6)10-4(9-1)11-3(7)12/h(H7,5,6,7,8,9,10,11,12)
InChIKey
UROVNNMQBJLRGG-UHFFFAOYSA-N
Compound name
(4,6-diamino-1,3,5-triazin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

169.07121 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07849 133.3
[M+Na]+ 192.06043 141.6
[M-H]- 168.06393 132.9
[M+NH4]+ 187.10503 148.0
[M+K]+ 208.03437 139.6
[M+H-H2O]+ 152.06847 124.9
[M+HCOO]- 214.06941 157.3
[M+CH3COO]- 228.08506 187.1
[M+Na-2H]- 190.04588 140.1
[M]+ 169.07066 127.9
[M]- 169.07176 127.9
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