CID 3043211

Brn 0695497

Structural Information

Molecular Formula
C23H31N5
SMILES
CCN(CC)CCCC(C)NC1=NC2=C(C=CC(=N2)N)C(=C1)C3=CC=CC=C3
InChI
InChI=1S/C23H31N5/c1-4-28(5-2)15-9-10-17(3)25-22-16-20(18-11-7-6-8-12-18)19-13-14-21(24)26-23(19)27-22/h6-8,11-14,16-17H,4-5,9-10,15H2,1-3H3,(H3,24,25,26,27)
InChIKey
ZTOHPQNSUXJFCQ-UHFFFAOYSA-N
Compound name
2-N-[5-(diethylamino)pentan-2-yl]-4-phenyl-1,8-naphthyridine-2,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.25793 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.26521 196.0
[M+Na]+ 400.24715 199.9
[M-H]- 376.25065 200.7
[M+NH4]+ 395.29175 205.5
[M+K]+ 416.22109 194.4
[M+H-H2O]+ 360.25519 184.4
[M+HCOO]- 422.25613 216.2
[M+CH3COO]- 436.27178 233.7
[M+Na-2H]- 398.23260 199.2
[M]+ 377.25738 196.6
[M]- 377.25848 196.6
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

No patent data available for this compound.