CID 91646502

1787931-36-5

Structural Information

Molecular Formula
C18H22N6
SMILES
CCN(CCCNC1=NC=NC2=C1C=CC(=N2)N)C3=CC=CC=C3
InChI
InChI=1S/C18H22N6/c1-2-24(14-7-4-3-5-8-14)12-6-11-20-17-15-9-10-16(19)23-18(15)22-13-21-17/h3-5,7-10,13H,2,6,11-12H2,1H3,(H3,19,20,21,22,23)
InChIKey
BGZAMOPPKJPNST-UHFFFAOYSA-N
Compound name
4-N-[3-(N-ethylanilino)propyl]pyrido[2,3-d]pyrimidine-4,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

322.19058 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.197856 176.1
[M+Na]+ 345.179798 181.8
[M-H]- 321.183304 180.0
[M+NH4]+ 340.224403 186.4
[M+K]+ 361.153738 176.3
[M+H-H2O]+ 305.187840 164.4
[M+HCOO]- 367.188781 197.8
[M+CH3COO]- 381.204431 185.3
[M+Na-2H]- 343.165246 184.3
[M]+ 322.19003142 175.8
[M]- 322.19112858 175.8
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