CID 433472

87871-34-9

Structural Information

Molecular Formula
C12H16N6O
SMILES
CC1(N=C(N=C(N1C2=CC=C(C=C2)C(=O)N)N)N)C
InChI
InChI=1S/C12H16N6O/c1-12(2)17-10(14)16-11(15)18(12)8-5-3-7(4-6-8)9(13)19/h3-6H,1-2H3,(H2,13,19)(H4,14,15,16,17)
InChIKey
MCGQISHBXJFQSB-UHFFFAOYSA-N
Compound name
4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

260.13855 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14583 161.2
[M+Na]+ 283.12777 170.1
[M-H]- 259.13127 163.8
[M+NH4]+ 278.17237 174.7
[M+K]+ 299.10171 166.0
[M+H-H2O]+ 243.13581 152.5
[M+HCOO]- 305.13675 181.6
[M+CH3COO]- 319.15240 204.7
[M+Na-2H]- 281.11322 165.1
[M]+ 260.13800 157.0
[M]- 260.13910 157.0
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

No patent data available for this compound.