CID 145823

Netropsin hydrochloride

Structural Information

Molecular Formula
C18H26N10O3
SMILES
CN1C=C(C=C1C(=O)NCCC(=O)N)NC(=O)C2=CC(=CN2C)N=C(CN=C(N)N)N
InChI
InChI=1S/C18H26N10O3/c1-27-9-11(6-12(27)16(30)23-4-3-15(20)29)26-17(31)13-5-10(8-28(13)2)25-14(19)7-24-18(21)22/h5-6,8-9H,3-4,7H2,1-2H3,(H2,19,25)(H2,20,29)(H,23,30)(H,26,31)(H4,21,22,24)
InChIKey
DIQXDWAXZNQRKR-UHFFFAOYSA-N
Compound name
4-[[4-[[1-amino-2-(diaminomethylideneamino)ethylidene]amino]-1-methylpyrrole-2-carbonyl]amino]-N-(3-amino-3-oxopropyl)-1-methylpyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

591
References

3
Patents

430.21893 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.22621 199.1
[M+Na]+ 453.20815 198.6
[M+NH4]+ 448.25275 198.9
[M+K]+ 469.18209 203.2
[M-H]- 429.21165 200.5
[M+Na-2H]- 451.19360 199.2
[M]+ 430.21838 197.9
[M]- 430.21948 197.9
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