CID 9156589

2-(4-amino-6-(phenylamino)-1,3,5-triazin-2-yl)acetonitrile

Structural Information

Molecular Formula
C11H10N6
SMILES
C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CC#N
InChI
InChI=1S/C11H10N6/c12-7-6-9-15-10(13)17-11(16-9)14-8-4-2-1-3-5-8/h1-5H,6H2,(H3,13,14,15,16,17)
InChIKey
WUDAGWKSEJVISS-UHFFFAOYSA-N
Compound name
2-(4-amino-6-anilino-1,3,5-triazin-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.0967 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10398 150.3
[M+Na]+ 249.08592 159.3
[M-H]- 225.08942 150.7
[M+NH4]+ 244.13052 161.3
[M+K]+ 265.05986 154.5
[M+H-H2O]+ 209.09396 133.6
[M+HCOO]- 271.09490 168.6
[M+CH3COO]- 285.11055 159.6
[M+Na-2H]- 247.07137 157.4
[M]+ 226.09615 142.6
[M]- 226.09725 142.6
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