CID 2997948

522606-67-3

Structural Information

Molecular Formula
C17H21N7
SMILES
C1CCN(C1)C2=NC(=C3C(=C2)C(=C(N=C3N)N4CCCC4)C#N)N
InChI
InChI=1S/C17H21N7/c18-10-12-11-9-13(23-5-1-2-6-23)21-15(19)14(11)16(20)22-17(12)24-7-3-4-8-24/h9H,1-8H2,(H2,19,21)(H2,20,22)
InChIKey
SSWVPYMSHHEYAB-UHFFFAOYSA-N
Compound name
1,8-diamino-3,6-dipyrrolidin-1-yl-2,7-naphthyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2
Patents

323.18585 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19313 173.9
[M+Na]+ 346.17507 182.1
[M-H]- 322.17857 175.9
[M+NH4]+ 341.21967 184.0
[M+K]+ 362.14901 173.9
[M+H-H2O]+ 306.18311 156.2
[M+HCOO]- 368.18405 186.1
[M+CH3COO]- 382.19970 180.8
[M+Na-2H]- 344.16052 171.6
[M]+ 323.18530 162.3
[M]- 323.18640 162.3
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

patents stripe