CID 3077648

135017-15-1

Structural Information

Molecular Formula
C19H30N6O
SMILES
CC(C)N(CC1=CC=C(O1)CNCCNC(=C(C#N)C#N)NC)C(C)C
InChI
InChI=1S/C19H30N6O/c1-14(2)25(15(3)4)13-18-7-6-17(26-18)12-23-8-9-24-19(22-5)16(10-20)11-21/h6-7,14-15,22-24H,8-9,12-13H2,1-5H3
InChIKey
FDEMXMQQXDTVQU-UHFFFAOYSA-N
Compound name
2-[[2-[[5-[[di(propan-2-yl)amino]methyl]furan-2-yl]methylamino]ethylamino]-(methylamino)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

358.2481 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.25538 196.6
[M+Na]+ 381.23732 199.9
[M-H]- 357.24082 199.0
[M+NH4]+ 376.28192 203.8
[M+K]+ 397.21126 199.3
[M+H-H2O]+ 341.24536 178.3
[M+HCOO]- 403.24630 207.1
[M+CH3COO]- 417.26195 246.9
[M+Na-2H]- 379.22277 191.9
[M]+ 358.24755 188.3
[M]- 358.24865 188.3
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