CID 11971100

2,4-diamino-6-(2-chloro-3-naphthyl)-s-triazine

Structural Information

Molecular Formula
C13H10ClN5
SMILES
C1=CC=C2C=C(C(=CC2=C1)C3=NC(=NC(=N3)N)N)Cl
InChI
InChI=1S/C13H10ClN5/c14-10-6-8-4-2-1-3-7(8)5-9(10)11-17-12(15)19-13(16)18-11/h1-6H,(H4,15,16,17,18,19)
InChIKey
WEOTZQJNSSNRPX-UHFFFAOYSA-N
Compound name
6-(3-chloronaphthalen-2-yl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

271.06247 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.069746 160.7
[M+Na]+ 294.051688 172.1
[M-H]- 270.055194 164.0
[M+NH4]+ 289.096293 174.1
[M+K]+ 310.025628 164.5
[M+H-H2O]+ 254.059730 151.5
[M+HCOO]- 316.060671 177.2
[M+CH3COO]- 330.076321 172.0
[M+Na-2H]- 292.037136 168.1
[M]+ 271.06192142 160.2
[M]- 271.06301858 160.2
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