CID 6413077

Nsc698033

Structural Information

Molecular Formula
C14H17N5
SMILES
CC1=C(N=C(N=N1)N)/C=C/C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C14H17N5/c1-10-13(16-14(15)18-17-10)9-6-11-4-7-12(8-5-11)19(2)3/h4-9H,1-3H3,(H2,15,16,18)/b9-6+
InChIKey
TWTCODGXDACPQI-RMKNXTFCSA-N
Compound name
5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,2,4-triazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.14839 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15567 162.1
[M+Na]+ 278.13761 170.5
[M-H]- 254.14111 166.2
[M+NH4]+ 273.18221 175.2
[M+K]+ 294.11155 166.0
[M+H-H2O]+ 238.14565 151.9
[M+HCOO]- 300.14659 184.6
[M+CH3COO]- 314.16224 204.7
[M+Na-2H]- 276.12306 167.3
[M]+ 255.14784 162.0
[M]- 255.14894 162.0
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.