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]+ 323.19786 176.1
[M+Na]+ 345.17980 181.8
[M-H]- 321.18330 180.0
[M+NH4]+ 340.22440 186.4
[M+K]+ 361.15374 176.3
[M+H-H2O]+ 305.18784 164.4
[M+HCOO]- 367.18878 197.8
[M+CH3COO]- 381.20443 185.3
[M+Na-2H]- 343.16525 184.3
[M]+ 322.19003 175.8
[M]- 322.19113 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