CID 395256

Nsc699728

Structural Information

Molecular Formula
C12H10N6
SMILES
C1=CC=C2C(=C1)C=C(C=N2)C3=NC(=NC(=N3)N)N
InChI
InChI=1S/C12H10N6/c13-11-16-10(17-12(14)18-11)8-5-7-3-1-2-4-9(7)15-6-8/h1-6H,(H4,13,14,16,17,18)
InChIKey
ZLRYWZMZVKFOLI-UHFFFAOYSA-N
Compound name
6-quinolin-3-yl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

238.0967 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10398 154.2
[M+Na]+ 261.08592 164.6
[M-H]- 237.08942 156.4
[M+NH4]+ 256.13052 166.5
[M+K]+ 277.05986 158.2
[M+H-H2O]+ 221.09396 144.0
[M+HCOO]- 283.09490 174.4
[M+CH3COO]- 297.11055 165.3
[M+Na-2H]- 259.07137 163.8
[M]+ 238.09615 151.4
[M]- 238.09725 151.4
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